# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T18:04:51+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section E Crystallographic Communications') AND volume = 74 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"2020896","7.7103","0.0007","12.7416","0.0011","14.2187","0.0012","75.1572","0.0011","77.8324","0.0011","73.4904","0.0011","1280.16","0.19","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","Tribenzylbis(tetrahydrofuran-κ<i>O</i>)lutetium(III)","","- C29 H37 Lu O2 -","- C29 H37 Lu O2 -","- C58 H74 Lu2 O4 -","2","1","","Saliu, Kuburat O.; Takats, Josef; McDonald, Robert","Crystal structure of tribenzylbis(tetrahydrofuran-κO)lutetium(III)","Acta Crystallographica Section E Crystallographic Communications","2018","74","2","88","","10.1107/S2056989017018254","","","0.71073","MoKα","","0.025","0.0213","","","0.0494","0.0506","","","","","","1.071","","","","has coordinates,has Fobs","205167","2020-10-21","18:00:00",""
"2020997","7.3991","0.0015","10.637","0.002","11.931","0.002","93.65","0.03","107.37","0.03","108.11","0.03","839","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","8-(4-Methylphenyl)-2'-deoxyadenosine hemihydrate","","- C17 H20 N5 O3.5 -","- C17 H20 N5 O3.5 -","- C34 H40 N10 O7 -","2","2","ZP2024","Ardhapure, Ajaykumar V.; Sanghvi, Yogesh S.; Borozdina, Yulia; Kapdi, Anant Ramakant; Schulzke, Carola","Crystal structure of 8-(4-methylphenyl)-2'-deoxyadenosine hemihydrate","Acta Crystallographica Section E","2018","74","1","1","5","10.1107/S2056989017017212","","","0.71073","MoKα","","0.0673","0.0413","","","0.095","0.1098","","","","","","0.996","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021001","4.7089","0.0002","9.676","0.0004","12.1952","0.0005","93.387","0.003","92.165","0.002","103.18","0.002","539.32","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-dibenzyl-3,3'-dimethoxy-1,1'-biphenyl-4,4'-diamine","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","1","0.5","","Im, Hansu; Kim, Jineun; Sim, Changeun; Kim, Tae Ho","Crystal structure of N,N′-dibenzyl-3,3′-dimethoxybenzidine","Acta Crystallographica Section E Crystallographic Communications","2018","74","3","271","","10.1107/S2056989018001688","","","0.71073","MoKα","","0.0526","0.0483","","","0.1414","0.1451","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","206075","2020-10-21","18:00:00",""
"2021116","8.425","0.001","8.425","0.001","54.749","0.011","90","","90","","120","","3365.5","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","rubidium iron bis(hydrogen arsenate)","Rubidium iron bis[hydrogen arsenate(V)]","","- As2 Fe H2 O8 Rb -","- As2 Fe H2 O8 Rb -","- As36 Fe18 H36 O144 Rb18 -","18","0.5","PJ2051","Schwendtner, Karolina; Kolitsch, Uwe","RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types","Acta Crystallographica Section E Crystallographic Communications","2018","74","6","766","","10.1107/S2056989018006473","","","0.71073","MoKα","","0.0246","0.0206","","","0.0506","0.0519","","","","","","1.115","","","","has coordinates,has Fobs","207602","2020-10-21","18:00:00",""
"2021117","7.346","0.002","9.148","0.002","9.662","0.002","64.89","0.03","70.51","0.03","69.94","0.03","538.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","thallium iron bis(hydrogen arsenate)","Thallium iron bis[hydrogen arsenate(V)]","","- As2 Fe H2 O8 Tl -","- As2 Fe H2 O8 Tl0.999867 -","- As6 Fe3 H6 O24 Tl2.9996 -","3","1.5","","Schwendtner, Karolina; Kolitsch, Uwe","RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types","Acta Crystallographica Section E Crystallographic Communications","2018","74","6","766","","10.1107/S2056989018006473","","","0.71073","MoKα","","0.0293","0.0224","","","0.0487","0.0508","","","","","","1.058","","","","has coordinates,has Fobs","207602","2020-10-21","18:00:00",""
"2021177","7.545","0.0015","23.19","0.005","8.337","0.0017","90","","103.32","0.03","90","","1419.5","0.5","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,14-Dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0^7,12^]docosane tetrachloride tetrahydrate","","- C20 H52 Cl4 N4 O4 -","- C20 H52 Cl4 N4 O4 -","- C40 H104 Cl8 N8 O8 -","2","0.5","SJ5559","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data","Acta Crystallographica Section E Crystallographic Communications","2018","74","8","1039","","10.1107/S2056989018009337","","","0.63","synchrotron","","0.048","0.0462","","","0.1397","0.1413","","","","","","1.139","","","","has coordinates,has Fobs","208940","2020-10-21","18:00:00",""
"2021207","8.944","0.002","10.797","0.003","20.52","0.005","90","","90","","90","","1981.6","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1'-Diformylruthenocene","","- C12 H10 O2 Ru -","- C12 H10 O2 Ru -","- C96 H80 O16 Ru8 -","8","2","ZP2025","Anzaldo, Bertin; Sharma, Pankaj; Lara Ochoa, Francisco; Villamizar C., Claudia P.; Gutiérrez Pérez, René","X-ray structure analysis of symmetrically substituted 1,1′-diformylruthenocene","Acta Crystallographica Section E Crystallographic Communications","2018","74","9","1186","","10.1107/S2056989018010642","","","0.71073","MoKα","","0.0668","0.0528","","","0.1111","0.1233","","","","","","1.025","","","","has coordinates,has Fobs","209711","2020-10-21","18:00:00",""
"2021225","7.3066","0.0006","11.5182","0.0009","20.2701","0.0017","90","","93.673","0.002","90","","1702.4","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]malonate","Diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]propanedioate","","- C18 H23 F O5 -","- C18 H23 F O5 -","- C72 H92 F4 O20 -","4","1","YK2116","Chandrashekharappa, Sandeep; Bairagi, Keshab M.; Mohan, Mahendra K.; Venugopala, Katharigatta N.; Nayak, Susanta K.","Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]malonate","Acta Crystallographica Section E","2018","74","10","1388","1391","10.1107/S2056989018012094","","","0.71073","MoKα","","0.0706","0.0422","","","0.091","0.1043","","","","","","1.025","","","","has coordinates,has Fobs","211792","2020-10-21","18:00:00",""
"2021246","9.4036","0.0002","21.1588","0.0004","15.0319","0.0003","90","","102.221","0.002","90","","2923.1","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichloridobis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}{2-methoxy-6-[(methylimino)methyl]phenolato}cadmium(II)cobalt(III) monohydrate","","- C27 H32 Cd Cl2 Co N3 O7 -","- C27 H32 Cd Cl2 Co N3 O7 -","- C108 H128 Cd4 Cl8 Co4 N12 O28 -","4","1","LH5882","Vassilyeva, Olga Yu.; Kasyanova, Katerina V.; Kokozay, Vladimir N.; Skelton, Brian W.","Crystal structure of dichloridobis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}{2-methoxy-6-[(methylimino)methyl]phenolato}cadmium(II)cobalt(III) monohydrate","Acta Crystallographica Section E Crystallographic Communications","2018","74","11","1532","","10.1107/S2056989018013610","","x-ray","1.54178","CuKα","","0.0574","0.046","","","0.1095","0.1173","","","","","","1.02","","","","has coordinates,has Fobs","211296","2020-10-21","18:00:00",""
"2242305","6.5411","0.0004","7.3889","0.0006","15.0662","0.0012","78.772","0.003","86.872","0.003","87.376","0.003","712.71","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-2-(5-Bromo-2-hydroxybenzylidene)hydrazinecarbothioamide dimethyl sulfoxide monosolvate","","- C10 H14 Br N3 O2 S2 -","- C10 H14 Br N3 O2 S2 -","- C20 H28 Br2 N6 O4 S4 -","2","1","SU5414","Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Balasubramani, Kasthuri","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-(5-bromo-2-hydroxybenzylidene)hydrazinecarbothioamide dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2018","74","2","119","123","10.1107/S2056989018000233","","","0.71073","MoKα","","0.0414","0.0298","","","0.0965","0.1064","","","","","","0.789","","","","has coordinates,has Fobs","205159","2020-10-21","18:00:00",""
"2242306","8.1038","0.0003","13.3915","0.0006","18.7377","0.0009","90","","90","","90","","2033.45","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4<i>H</i>-11-thia-1,4a-\ diazabenzo[<i>b</i>]fluorene-3-carboxylate","","- C24 H18 N2 O4 S -","- C24 H18 N2 O4 S -","- C96 H72 N8 O16 S4 -","4","1","ZQ2240","Yartsev, Yegor; Lyubashov, Pavel; Povstyanoy, Vyacheslav; Povstyaniy, Mykhailo; Lebedyeva, Iryna","Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4<i>H</i>-11-thia-1,4a-diazabenzo[<i>b</i>]fluorene-3-carboxylate","Acta Crystallographica Section E","2018","74","2","124","126","10.1107/S2056989018000117","","","0.71073","MoKα","","0.0428","0.0352","","","0.0825","0.0873","","","","","","1.031","","","","has coordinates,has Fobs","205160","2020-10-21","18:00:00",""
"2242307","9.513","0.001","7.196","0.005","14.297","0.004","90","","90.41","0.02","90","","978.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methylanilinium perchlorate","","- C7 H10 Cl N O4 -","- C7 H10 Cl N O4 -","- C28 H40 Cl4 N4 O16 -","4","1","","Ben Jomaa, Meriam; Chebbi, Hammouda; Fakhar Bourguiba, Noura; Zid, Mohamed Faouzi","Structure cristalline, caractérisation spectroscopique, calcul DFT et analyse de surface Hirshfeld du perchlorate de <i>p</i>-toluidinium","Acta Crystallographica Section E","2018","74","2","91","97","10.1107/S2056989017018096","","","0.71073","MoKα","","0.1301","0.0674","","","0.1746","0.2121","","","","","","1.024","","","","has coordinates,has Fobs","205161","2020-10-21","18:00:00",""
"2242308","12.685","0.003","15.498","0.003","7.375","0.002","90","","97.12","0.03","90","","1438.7","0.6","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(4-amino-4<i>H</i>-1,2,4-triazolium) [bis(μ~2~-4-amino-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^:<i>N</i>^2^)tetra-μ~2~-chlorido-tetrachloridotricadmium(II)] dihydrate]","","- C8 H22 Cd3 Cl8 N16 O2 -","- C8 H22 Cd3 Cl8 N16 O2 -","- C16 H44 Cd6 Cl16 N32 O4 -","2","0.5","XI2006","Said, Maha; Boughzala, Habib","A new cadmium coordination polymer based on 4-amino-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","2","147","150","10.1107/S2056989018000464","","","0.71073","MoKα","","0.0499","0.0401","","","0.1154","0.1232","","","","","","1.063","","","","has coordinates,has Fobs","205162","2020-10-21","18:00:00",""
"2242309","10.9256","0.0002","12.9595","0.0006","24.1116","0.0006","90","","100.763","0.002","90","","3353.91","0.19","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate","","- C26 H26 Co N10 O S6 -","- C26 H26 Co N10 O S6 -","- C104 H104 Co4 N40 O4 S24 -","4","1","WM5430","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2018","74","2","141","146","10.1107/S205698901800021X","","","0.71073","MoKα","","0.045","0.0356","","","0.0748","0.0782","","","","","","1.068","","","","has coordinates,has Fobs","205163","2020-10-21","18:00:00",""
"2242310","18.965","0.003","41.216","0.007","5.1117","0.0007","90","","90","","90","","3995.6","1.1","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)","","- C14 H12 N6 S4 Zn -","- C14 H12 N6 S4 Zn -","- C112 H96 N48 S32 Zn8 -","8","0.5","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2018","74","2","141","146","10.1107/S205698901800021X","","","0.71073","MoKα","","0.0455","0.0396","","","0.1035","0.1091","","","","","","1.071","","","","has coordinates,has Fobs","205163","2020-10-21","18:00:00",""
"2242311","10.8002","0.0015","5.1439","0.0007","13.3931","0.0019","90","","98.382","0.001","90","","736.11","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Deoxy-1-(<i>N</i>-methyl-<i>p</i>-methoxyphenylamino)-<i>D</i>-fructose","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C28 H42 N2 O12 -","2","1","QM2121","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","Crystal structure of the acyclic form of 1-deoxy-1-[(4-methoxyphenyl)(methyl)amino]-<small>D</small>-fructose","Acta Crystallographica Section E","2018","74","2","127","132","10.1107/S2056989018000099","","","0.71073","MoKα","","0.0346","0.0313","","","0.0793","0.0815","","","","","","1.044","","","","has coordinates,has Fobs","205164","2020-10-21","18:00:00",""
"2242312","5.176","0.003","13.972","0.005","9.067","0.003","90","","91.34","0.02","90","","655.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Potassium sodium copper(II) diphosphate(V)","","- Cu K Na O7 P2 -","- Cu K Na O7 P2 -","- Cu4 K4 Na4 O28 P8 -","4","1","WM5429","Fitouri, Ines; Boughzala, Habib","Crystal structure of KNaCuP~2~O~7~, a new member of the diphosphate family","Acta Crystallographica Section E","2018","74","2","109","112","10.1107/S2056989018000130","","","0.71073","MoKα","","0.0241","0.0204","","","0.0576","0.0592","","","","","","1.008","","","","has coordinates,has Fobs","205165","2020-10-21","18:00:00",""
"2242313","16.6728","0.001","6.8197","0.0003","15.4419","0.0007","90","","102.217","0.003","90","","1716.03","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trinitrobenzene‒1-(naphthalen-2-yl)ethan-1-one (1/1)","","- C18 H13 N3 O7 -","- C18 H13 N3 O7 -","- C72 H52 N12 O28 -","4","1","","Hill, Tania; Levendis, Demetrius C.; Lemmerer, Andreas","Binary and ternary charge-transfer complexes using 1,3,5-trinitrobenzene","Acta Crystallographica Section E","2018","74","2","113","118","10.1107/S2056989018000245","","","0.71073","MoKα","","0.1026","0.0533","","","0.126","0.1523","","","","","","1.007","","","","has coordinates,has Fobs","205166","2020-10-21","18:00:00",""
"2242314","7.0928","0.0002","9.7701","0.0003","27.0563","0.0007","90","","100.674","0.001","90","","1842.49","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trinitrobenzene‒9-bromoanthracene (1/1)","","- C20 H12 Br N3 O6 -","- C20 H12 Br N3 O6 -","- C80 H48 Br4 N12 O24 -","4","1","","Hill, Tania; Levendis, Demetrius C.; Lemmerer, Andreas","Binary and ternary charge-transfer complexes using 1,3,5-trinitrobenzene","Acta Crystallographica Section E","2018","74","2","113","118","10.1107/S2056989018000245","","","0.71073","MoKα","","0.0499","0.0397","","","0.0913","0.0955","","","","","","1.079","","","","has coordinates,has Fobs","205166","2020-10-21","18:00:00",""
"2242315","8.55","0.003","10.437","0.003","13.072","0.005","110.689","0.01","103.51","0.012","90.73","0.012","1055.2","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-Trinitrobenzene‒2-{(<i>E</i>)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid (1/1)","","- C21 H18 N6 O8 -","- C21 H18 N6 O8 -","- C42 H36 N12 O16 -","2","1","","Hill, Tania; Levendis, Demetrius C.; Lemmerer, Andreas","Binary and ternary charge-transfer complexes using 1,3,5-trinitrobenzene","Acta Crystallographica Section E","2018","74","2","113","118","10.1107/S2056989018000245","","","0.71073","MoKα","","0.1242","0.0776","","","0.211","0.2487","","","","","","1.073","","","","has coordinates,has Fobs","205166","2020-10-21","18:00:00",""
"2242316","7.5365","0.0015","7.9003","0.0016","19.153","0.004","97.58","0.007","94.667","0.006","99.547","0.007","1108.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-Trinitrobenzene‒1-naphthoic acid‒2-amino-5-nitropyridine (1/1/1)","","- C22 H16 N6 O10 -","- C22 H16 N6 O10 -","- C44 H32 N12 O20 -","2","1","","Hill, Tania; Levendis, Demetrius C.; Lemmerer, Andreas","Binary and ternary charge-transfer complexes using 1,3,5-trinitrobenzene","Acta Crystallographica Section E","2018","74","2","113","118","10.1107/S2056989018000245","","","0.71073","MoKα","","0.0837","0.072","","","0.1633","0.168","","","","","","1.221","","","","has coordinates,has Fobs","205166","2020-10-21","18:00:00",""
"2242317","17.069","0.003","5.9278","0.0012","7.8053","0.0016","90","","90.54","0.03","90","","789.7","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Pyrazin-2-yl)morpholine","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C32 H44 N12 O4 -","4","1","DS2249","Bandaru, Siva Sankar Murthy; Kapdi, Anant Ramakant; Schulzke, Carola","Crystal structure of 4-(pyrazin-2-yl)morpholine","Acta Crystallographica Section E","2018","74","2","137","140","10.1107/S2056989018000312","","","0.71073","MoKα","","0.0459","0.0315","","","0.0756","0.0806","","","","","","1.007","","","","has coordinates","205168","2020-10-21","18:00:00",""
"2242318","8.2837","0.0009","8.666","0.0009","10.6619","0.0012","110.762","0.003","101.468","0.004","95.463","0.003","689.83","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","4,4-Difluoro-1,3,5,7,8-pentamethyl-2-nitro-4-bora-3a,4a-diaza-<i>s</i>-indacene","","- C14 H16 B F2 N3 O2 -","- C14 H16 B F2 N3 O2 -","- C28 H32 B2 F4 N6 O4 -","2","1","HB7723","Joshi, Dhruval J.; Jun, Meesook; Yang, Lijing; Lough, Alan J.; Yan, Hongbin","Further investigation on the nitration of BODIPY with cupric nitrate: crystal structures of 4,4-difluoro-1,3,5,7,8-pentamethyl-2-nitro-4-bora-3a,4a-diaza-<i>s</i>-indacene, 4,4-difluoro-3-nitro-8-phenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene, and 3-chloro-6-ethyl-5,7,8-trimethyl-2-nitro-4,4-diphenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","Acta Crystallographica Section E","2018","74","2","103","108","10.1107/S2056989017018564","","","0.71073","MoKα","","0.0869","0.0522","","","0.129","0.1435","","","","","","1.073","","","","has coordinates,has Fobs","205169","2020-10-21","18:00:00",""
"2242319","7.2833","0.0002","8.545","0.0003","11.8803","0.0004","81.093","0.002","74.358","0.002","78.581","0.002","693.86","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","4,4-Difluoro-3-nitro-8-phenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","","- C15 H10 B F2 N3 O2 -","- C15 H10 B F2 N3 O2 -","- C30 H20 B2 F4 N6 O4 -","2","1","","Joshi, Dhruval J.; Jun, Meesook; Yang, Lijing; Lough, Alan J.; Yan, Hongbin","Further investigation on the nitration of BODIPY with cupric nitrate: crystal structures of 4,4-difluoro-1,3,5,7,8-pentamethyl-2-nitro-4-bora-3a,4a-diaza-<i>s</i>-indacene, 4,4-difluoro-3-nitro-8-phenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene, and 3-chloro-6-ethyl-5,7,8-trimethyl-2-nitro-4,4-diphenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","Acta Crystallographica Section E","2018","74","2","103","108","10.1107/S2056989017018564","","","1.54178","CuKα","","0.0396","0.033","","","0.0827","0.0864","","","","","","1.051","","","","has coordinates,has Fobs","205169","2020-10-21","18:00:00",""
"2242320","11.8359","0.0004","12.0825","0.0004","16.5811","0.0005","90","","104.116","0.001","90","","2299.62","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Chloro-6-ethyl-5,7,8-trimethyl-2-nitro-4,4-diphenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","","- C26 H25 B Cl N3 O2 -","- C26 H25 B Cl N3 O2 -","- C104 H100 B4 Cl4 N12 O8 -","4","1","","Joshi, Dhruval J.; Jun, Meesook; Yang, Lijing; Lough, Alan J.; Yan, Hongbin","Further investigation on the nitration of BODIPY with cupric nitrate: crystal structures of 4,4-difluoro-1,3,5,7,8-pentamethyl-2-nitro-4-bora-3a,4a-diaza-<i>s</i>-indacene, 4,4-difluoro-3-nitro-8-phenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene, and 3-chloro-6-ethyl-5,7,8-trimethyl-2-nitro-4,4-diphenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","Acta Crystallographica Section E","2018","74","2","103","108","10.1107/S2056989017018564","","","1.54178","CuKα","","0.0344","0.0328","","","0.0834","0.0849","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","205169","2020-10-21","18:00:00",""
"2242321","12.0684","0.0005","13.9953","0.0004","14.0634","0.0005","73.682","0.003","86.6","0.003","88.884","0.003","2275.61","0.14","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","1-[(2,2-Dimethylhydrazin-1-ylidene)methyl]-1'-(diphenylphosphorothioyl)ferrocene","","- C25 H25 Fe N2 P S -","- C25 H25 Fe N2 P S -","- C100 H100 Fe4 N8 P4 S4 -","4","2","SU5416","Mouas, Toma Nardjes; Daran, Jean-Claude; Merazig, Hocine; Manoury, Eric","The crystal structure of a new ferrocenyl P,N ligand: 1-[(2,2-dimethylhydrazin-1-ylidene)methyl]-1'-(diphenylphosphorothioyl)ferrocene","Acta Crystallographica Section E","2018","74","2","133","136","10.1107/S2056989018000440","","","0.71073","MoKα","","0.0488","0.0338","","","0.0734","0.0797","","","","","","1.028","","","","has coordinates,has Fobs","205170","2020-10-21","18:00:00",""
"2242322","8.81934","0.00018","15.3698","0.0003","15.4209","0.0003","90","","103.294","0.002","90","","2034.31","0.07","297","1","297","1","","","","","","","","6","P 1 21 1","P 2yb","4","","Chlorido(dimethyl sulfoxide-κ<i>O</i>)triphenyltin(IV)","","- C20 H21 Cl O S Sn -","- C20 H21 Cl O S Sn -","- C80 H84 Cl4 O4 S4 Sn4 -","4","2","HB4193","Pouye, Serigne Fallou; Cissé, Ibrahima; Diop, Libasse; Ríos-Merino, Francisco Javier; Bernès, Sylvain","Monoclinic polymorph of chlorido(dimethyl sulfoxide-κ<i>O</i>)triphenyltin(IV)","Acta Crystallographica Section E","2018","74","2","163","166","10.1107/S2056989018000439","","","0.71073","MoKα","","0.072","0.038","","","0.0697","0.0826","","","","","","1.036","","","","has coordinates,has Fobs","205171","2020-10-21","18:00:00",""
"2242323","7.0593","0.0004","10.5346","0.0005","13.0658","0.0006","90","","90","","90","","971.66","0.08","100","2","100","2","","","","","","","","4","I m m a","-I 2b 2","74","I3CN","2,4,6-Triiodobenzonitrile","","- C7 H2 I3 N -","- C7 H2 I3 N -","- C28 H8 I12 N4 -","4","0.25","LH5864","Noland, Wayland E.; Britton, Doyle; Sutton, Gregory K.; Schneerer, Andrew K.; Tritch, Kenneth J.","Crystal structures of 2,4,6-triiodobenzonitrile and 2,4,6-triiodophenyl isocyanide","Acta Crystallographica Section E","2018","74","2","98","102","10.1107/S2056989017018217","","","0.71073","MoKα","","0.0142","0.0134","","","0.0298","0.0302","","","","","","1.183","","","","has coordinates,has Fobs","205172","2020-10-21","18:00:00",""
"2242324","7.0552","0.0003","10.4947","0.0005","13.1557","0.0005","90","","90","","90","","974.08","0.07","100","2","100","2","","","","","","","","4","I m m a","-I 2b 2","74","I3NC","2,4,6-Triiodophenyl isocyanide","","- C7 H2 I3 N -","- C7 H2 I3 N -","- C28 H8 I12 N4 -","4","0.25","","Noland, Wayland E.; Britton, Doyle; Sutton, Gregory K.; Schneerer, Andrew K.; Tritch, Kenneth J.","Crystal structures of 2,4,6-triiodobenzonitrile and 2,4,6-triiodophenyl isocyanide","Acta Crystallographica Section E","2018","74","2","98","102","10.1107/S2056989017018217","","","0.71073","MoKα","","0.0119","0.011","","","0.0239","0.0243","","","","","","1.143","","","","has coordinates,has Fobs","205172","2020-10-21","18:00:00",""
"2242325","21.0983","0.0013","7.7792","0.0005","17.7036","0.0011","90","","105.564","0.002","90","","2799.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-6-methyl-2-oxo-3-[1-(<i>p</i>-ethoxyiminio)ethyl]-2<i>H</i>-pyran-4-olate","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","1","","Djedouani, Amel; Anak, Barkahem; Tabti, Salima; Cleymand, Franck; François, Michel; Fleutot, Solenne","Crystal structure and DFT study of the zwitterionic form of 3-{(<i>E</i>)-1-[(4-ethoxyphenyl)iminiumyl]ethyl}-6-methyl-2-oxo-2<i>H</i>-pyran-4-olate","Acta Crystallographica Section E","2018","74","2","172","175","10.1107/S2056989018000919","","","0.71073","MoKα","","0.045","0.0354","","","0.0903","0.0939","","","","","","1.07","","","","has coordinates,has Fobs","205326","2020-10-21","18:00:00",""
"2242326","11.6178","0.0008","15.7762","0.0008","12.8621","0.0007","90","","90","","90","","2357.4","0.2","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,3,8,9,14,15-Hexamethyl-5,6,11,12,17,18-hexaazatrinaphthylene","","- C30 H24 N6 -","- C30 H24 N6 -","- C120 H96 N24 -","4","0.5","WM5431","Fangmann, Pia; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of 2,3,8,9,14,15-hexamethyl-5,6,11,12,17,18-hexaazatrinaphthylene and 2,3,8,9,14,15-hexaphenyl-5,6,11,12,17,18-hexazatrinaphthylene dichloromethane disolvate","Acta Crystallographica Section E","2018","74","2","167","171","10.1107/S2056989018000725","","","0.71073","MoKα","","0.067","0.0315","","","0.0739","0.0801","","","","","","0.746","","","","has coordinates,has Fobs","205327","2020-10-21","18:00:00",""
"2242327","9.2629","0.0004","16.3829","0.0006","18.4366","0.0006","64.2659","0.0013","78.2616","0.0015","88.353","0.0017","2461.97","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,3,8,9,14,15-Hexaphenyl-5,6,11,12,17,18-hexazatrinaphthylene dichloromethane disolvate","","- C62 H40 Cl4 N6 -","- C62 H40 Cl4 N6 -","- C124 H80 Cl8 N12 -","2","1","","Fangmann, Pia; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of 2,3,8,9,14,15-hexamethyl-5,6,11,12,17,18-hexaazatrinaphthylene and 2,3,8,9,14,15-hexaphenyl-5,6,11,12,17,18-hexazatrinaphthylene dichloromethane disolvate","Acta Crystallographica Section E","2018","74","2","167","171","10.1107/S2056989018000725","","","0.71073","MoKα","","0.0511","0.039","","","0.0983","0.1068","","","","","","1.023","","","","has coordinates,has Fobs","205327","2020-10-21","18:00:00",""
"2242328","13.987","0.003","7.795","0.0014","10.3135","0.0018","90","","105.556","0.004","90","","1083.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(2-Acetamidophenyl)imino]butan-2-one","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","LD2143","Zhai, Feng; Solomon, Joseph B.; Filatov, Alexander S.; Jordan, Richard F.","Crystal structure of 3-[(2-acetamidophenyl)imino]butan-2-one","Acta Crystallographica Section E","2018","74","2","193","195","10.1107/S2056989018000749","","","0.71073","MoKα","","0.0456","0.0382","","","0.0975","0.1026","","","","","","1.057","","","","has coordinates,has Fobs","205429","2020-10-21","18:00:00",""
"2242329","9.775","0.004","7.278","0.003","10.698","0.004","90","","110.933","0.008","90","","710.8","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(5-Bromothiophen-2-yl)acetonitrile","","- C6 H4 Br N S -","- C6 H4 Br N S -","- C24 H16 Br4 N4 S4 -","4","1","DX2004","Pappenfus, Ted M.; Wood, Tiana L.; Morey, Joseph L.; Wilcox, Wyatt D.; Janzen, Daron E.","Crystal structure and Hirshfeld analysis of 2-(5-bromothiophen-2-yl)acetonitrile","Acta Crystallographica Section E","2018","74","2","189","192","10.1107/S2056989018000968","","","0.71075","MoKα","","0.0576","0.0476","","","0.112","0.117","","","","","","1.072","","","","has coordinates,has Fobs","205430","2020-10-21","18:00:00",""
"2242330","15.2673","0.0013","12.5337","0.0009","17.6096","0.0015","90","","112.628","0.003","90","","3110.3","0.4","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-Methyl-5-[(4-methylbenzene)sulfonyl]-2<i>H</i>,5<i>H</i>-[1,3]dioxolo[4,5-<i>f</i>]indole","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C136 H120 N8 O32 S8 -","8","1","HB7727","Ali, Akbar; Zukerman-Schpector, Julio; Weber Paixão, Márcio; Jotani, Mukesh M.; Tiekink, Edward R. T.","7-Methyl-5-[(4-methylbenzene)sulfonyl]-2<i>H</i>,5<i>H</i>-[1,3]dioxolo[4,5-<i>f</i>]indole: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2018","74","2","184","188","10.1107/S2056989018000889","","","0.71073","MoKα","","0.0475","0.0414","","","0.1192","0.1248","","","","","","1.072","","","","has coordinates,has Fobs","205431","2020-10-21","18:00:00",""
"2242331","10.6868","0.0012","26.421","0.003","13.5628","0.0015","90","","90.709","0.001","90","","3829.2","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Acetonyltriphenylphosphonium 2,3,5-triphenyltetrazolium tetrachloridocuprate(II)","","- C40 H35 Cl4 Cu N4 O P -","- C40 H35 Cl4 Cu N4 O P -","- C160 H140 Cl16 Cu4 N16 O4 P4 -","4","1","ZS2394","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Acetonyltriphenylphosphonium 2,3,5-triphenyltetrazolium tetrachloridocuprate(II)","Acta Crystallographica Section E","2018","74","1","69","71","10.1107/S205698901701800X","","","0.71073","MoKα","","0.0512","0.0373","","","0.0884","0.0964","","","","","","1.04","","","","has coordinates,has Fobs","205715","2020-10-21","18:00:00",""
"2242332","8.5079","0.0004","10.4356","0.0005","14.9899","0.0007","93.748","0.004","90.464","0.004","112.585","0.003","1225.39","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κ<i>N</i>)manganate(II)","","- C18 H22 Mn N8 S4 -","- C18 H22 Mn N8 S4 -","- C36 H44 Mn2 N16 S8 -","2","1","WM5426","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κ<i>N</i>)manganate(II) and tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κ<i>N</i>)manganate(II)","Acta Crystallographica Section E","2018","74","1","15","20","10.1107/S2056989017017510","","","0.71073","MoKα","","0.0418","0.0353","","","0.0944","0.0975","","","","","","1.061","","","","has coordinates,has Fobs","205716","2020-10-21","18:00:00",""
"2242333","10.832","0.0002","28.161","0.0005","11.3392","0.0002","90","","90.098","0.001","90","","3458.9","0.11","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κ<i>N</i>)manganate(II)","","- C26 H33 Mn N11 S5 -","- C26 H33 Mn N11 S5 -","- C104 H132 Mn4 N44 S20 -","4","2","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κ<i>N</i>)manganate(II) and tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κ<i>N</i>)manganate(II)","Acta Crystallographica Section E","2018","74","1","15","20","10.1107/S2056989017017510","","","0.71073","MoKα","","0.0416","0.0388","","","0.098","0.0993","","","","","","1.049","","","","has coordinates,has Fobs","205716","2020-10-21","18:00:00",""
"2242334","3.9149","0.0006","10.3237","0.0012","11.7003","0.0014","66.526","0.006","81.11","0.009","84.349","0.009","428.18","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxy-1,3-benzoxathiol-2-one","","- C9 H8 O3 S -","- C9 H8 O3 S -","- C18 H16 O6 S2 -","2","1","NK2242","de Chazin, Eliza; de Sanches, Paola; Vasconcelos, Thatyana R. A.; Gomes, Claudia R. B.; Wardell, James L.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of two 1,3-benzoxathiol-2-one derivatives","Acta Crystallographica Section E","2018","74","1","78","82","10.1107/S2056989017018072","","","0.71073","MoKα","","0.0362","0.0338","","","0.0925","0.094","","","","","","1.038","","","","has coordinates,has Fobs","205717","2020-10-21","18:00:00",""
"2242335","5.6232","0.0005","14.565","0.0014","10.8572","0.0011","90","","96.045","0.002","90","","884.28","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxo-1,3-benzoxathiol-6-yl acetate","","- C9 H6 O4 S -","- C9 H6 O4 S -","- C36 H24 O16 S4 -","4","1","NK2242","de Chazin, Eliza; de Sanches, Paola; Vasconcelos, Thatyana R. A.; Gomes, Claudia R. B.; Wardell, James L.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of two 1,3-benzoxathiol-2-one derivatives","Acta Crystallographica Section E","2018","74","1","78","82","10.1107/S2056989017018072","","","0.71073","MoKα","","0.0296","0.0282","","","0.0799","0.0809","","","","","","1.096","","","","has coordinates,has Fobs","205717","2020-10-21","18:00:00",""
"2242336","8.956","0.004","10.697","0.005","20.331","0.009","90","","90","","90","","1947.8","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ~3~-3-(1<i>H</i>-benzimidazol-2-yl)propionato]zinc(II)]","","- C10 H8 N2 O2 Zn -","- C10 H8 N2 O2 Zn -","- C80 H64 N16 O16 Zn8 -","8","1","LH5857","Li, Xiao-Yan; Peng, Yong-Qiong; Li, Juan; Fu, Wei-Wei; Liu, Yang; Li, Yu-Ming","Assembly of Zn^II^ and Cd^II^ coordination polymers with different dimensionalities based on the semi-flexible 3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid ligand","Acta Crystallographica Section E","2018","74","1","28","33","10.1107/S2056989017017534","","","0.71073","MoKα","","0.0293","0.0239","","","0.0605","0.0629","","","","","","1.031","","","","has coordinates,has Fobs","205718","2020-10-21","18:00:00",""
"2242337","13.6708","0.0006","8.0253","0.0003","17.3834","0.0007","90","","100.972","0.004","90","","1872.31","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis[μ~2~-3-(1<i>H</i>-benzimidazol-2-yl)propionato]cadmium(II)]","","- C20 H18 Cd N4 O4 -","- C20 H18 Cd N4 O4 -","- C80 H72 Cd4 N16 O16 -","4","1","","Li, Xiao-Yan; Peng, Yong-Qiong; Li, Juan; Fu, Wei-Wei; Liu, Yang; Li, Yu-Ming","Assembly of Zn^II^ and Cd^II^ coordination polymers with different dimensionalities based on the semi-flexible 3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid ligand","Acta Crystallographica Section E","2018","74","1","28","33","10.1107/S2056989017017534","","","0.71073","MoKα","","0.0444","0.0308","","","0.0594","0.0639","","","","","","1.055","","","","has coordinates,has Fobs","205718","2020-10-21","18:00:00",""
"2242338","41.432","0.002","41.432","0.002","7.7844","0.0006","90","","90","","90","","13362.8","1.4","100.15","","100","2","","","","","","","","4","I 41/a","-I 4ad","88","","Prop-2-en-1-yl 2,3,4,5-tetrachloro-6-[2,7-dichloro-6-hydroxy-3-oxo-4-(prop-2-en-1-yl)-3<i>H</i>-xanthen-9-yl]benzoate","","- C26 H14 Cl6 O5 -","- C26 H14 Cl6 O5 -","- C416 H224 Cl96 O80 -","16","","HB7719","Wang, Lili; Filatov, Alexander S.; Engel, Gregory S.","Crystal structure of 4'-allyl-4,5,6,7,2',7'-hexachlorofluorescein allyl ester unknown solvate","Acta Crystallographica Section E","2018","74","1","83","87","10.1107/S2056989017018163","","","0.71073","MoKα","","0.0668","0.0549","","","0.1475","0.1563","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","205719","2020-10-21","18:00:00",""
"2242339","15.353","0.003","6.3143","0.0013","26.941","0.006","90","","96.446","0.004","90","","2595.2","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(Furan-2-ylmethylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","2","","Thiruvalluvar, A.; Sridharan, M.; Rajendra Prasad, K. J.; Zeller, M.","Crystal structure of (<i>E</i>)-2-(furan-2-ylmethylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","Acta Crystallographica Section E","2018","74","1","59","61","10.1107/S2056989017017972","","","0.71073","MoKα","","0.1207","0.0802","","","0.1337","0.1474","","","","","","1.113","","","","has coordinates,has Fobs","205720","2020-10-21","18:00:00",""
"2242340","6.9293","0.0005","7.327","0.0005","15.7411","0.0011","94.198","0.006","96.189","0.006","116.053","0.005","707.27","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,3-Dimethoxy-<i>N</i>-(4-nitrophenyl)benzamide","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C30 H28 N4 O10 -","2","1","XU5912","Yaman, Mavişe; Almarhoon, Zainab M.; Çakmak, Şükriye; Kütük, Halil; Meral, Güngör; Dege, Necmi","Crystal structure of 2,3-dimethoxy-<i>N</i>-(4-nitrophenyl)benzamide","Acta Crystallographica Section E","2018","74","1","41","44","10.1107/S2056989017017741","","","0.71073","MoKα","","0.0561","0.039","","","0.1085","0.114","","","","","","1.088","","","","has coordinates,has Fobs","205721","2020-10-21","18:00:00",""
"2242341","10.4348","0.0017","7.6726","0.0013","10.821","0.0018","90","","97.773","0.003","90","","858.4","0.2","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","(4b<i>S</i>)-3-Hydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a-hexahydrophenanthrene-1,4-dione","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","QM2118","Chen, Li; Ma, Xinhua; Deng, ShiHao; Yang, XinZhou; Song, Ping","Crystal structure of 6,7-dehydroroyleanone isolated from <i>Taxodium distichum</i> (L.) Rich.","Acta Crystallographica Section E","2018","74","1","62","64","10.1107/S2056989017017935","","","0.71073","MoKα","","0.0553","0.0473","","","0.1332","0.1425","","","","","","1.082","","","","has coordinates,has Fobs","205722","2020-10-21","18:00:00",""
"2242342","14.292","0.003","13.729","0.003","17.23","0.003","90","","90","","90","","3380.8","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C168 H144 N16 O16 -","8","1","LD2142","Toze, Flavien A. A.; Zaytsev, Vladimir P.; Chervyakova, Lala V.; Kvyatkovskaya, Elisaveta A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Crystal structure of 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one from synchrotron X-ray diffraction","Acta Crystallographica Section E","2018","74","1","10","14","10.1107/S2056989017017479","","","0.9626","synchrotron","","0.0517","0.0417","","","0.106","0.1122","","","","","","1.084","","","","has coordinates,has Fobs","205723","2020-10-21","18:00:00",""
"2242343","14.245","0.003","13.855","0.003","17.629","0.004","90","","90","","90","","3479.3","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","LD2142","Toze, Flavien A. A.; Zaytsev, Vladimir P.; Chervyakova, Lala V.; Kvyatkovskaya, Elisaveta A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Crystal structure of 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one from synchrotron X-ray diffraction","Acta Crystallographica Section E","2018","74","1","10","14","10.1107/S2056989017017479","","","0.9626","synchrotron","","0.0598","0.0497","","","0.1336","0.147","","","","","","1.084","","","","has coordinates,has Fobs","205723","2020-10-21","18:00:00",""
"2242344","9.0184","0.0006","10.998","0.0008","11.2386","0.0008","63.426","0.002","74.414","0.003","78.144","0.002","955.56","0.12","296","2","296","2","","","","","","","","6","P 1","P 1","1","rivaroxaban","(<i>S</i>)-5-Chloro-<i>N</i>-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl}methyl)thiophene-2-carboxamide","","- C19 H18 Cl N3 O5 S -","- C19 H18 Cl N3 O5 S -","- C38 H36 Cl2 N6 O10 S2 -","2","2","XU5913","Shen, Jie; Tang, Gu-Ping; Hu, Xiu-Rong","Crystal structure of (<i>S</i>)-5-chloro-<i>N</i>-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl}methyl)thiophene-2-carboxamide","Acta Crystallographica Section E","2018","74","1","51","54","10.1107/S2056989017017819","","","0.71073","MoKα","","0.0936","0.0452","","","0.1034","0.1489","","","","","","1.003","","","","has coordinates,has Fobs","205724","2020-10-21","18:00:00",""
"2242345","16.5464","0.0004","9.2184","0.0002","22.3975","0.0004","90","","100.494","0.002","90","","3359.18","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-{(<i>E</i>)-[4-(4-Hydroxy-3-methoxyphenyl)butan-2-ylidene]amino}-1-phenylurea","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C144 H168 N24 O24 -","8","2","HB7720","Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","3-{(<i>E</i>)-[4-(4-Hydroxy-3-methoxyphenyl)butan-2-ylidene]amino}-1-phenylurea: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","1","21","27","10.1107/S2056989017017273","","","1.5418","CuKα","","0.0656","0.0588","","","0.1711","0.1796","","","","","","1.045","","","","has coordinates,has Fobs","205725","2020-10-21","18:00:00",""
"2242346","7.957","0.003","9.656","0.003","16.568","0.005","76.71","0.005","79.44","0.005","78.173","0.005","1200.1","0.7","193","","193","","","","","","","","","4","P -1","-P 1","2","","5,15-Bis(4-methylphenyl)-10,20-bis(4-nitrophenyl)porphyrin nitrobenzene disolvate","","- C58 H42 N8 O8 -","- C58 H42 N8 O8 -","- C58 H42 N8 O8 -","1","0.5","","Baptayev, Bakhytzhan; Adilov, Salimgerey","Crystal structure of 5,15-bis(4-methylphenyl)-10,20-bis(4-nitrophenyl)porphyrin nitrobenzene disolvate","Acta Crystallographica Section E","2018","74","1","55","58","10.1107/S2056989017017868","","","0.71073","MoKα","","0.0849","0.0643","","","0.1737","0.1893","","","","","","1.0465","","","","has coordinates,has Fobs","205726","2020-10-21","18:00:00",""
"2242347","15.826","0.003","8.0772","0.0006","18.431","0.002","90","","111.83","0.016","90","","2187.1","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ethyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","","- C9 H11 N O2 S2 -","- C9 H11 N O2 S2 -","- C72 H88 N8 O16 S16 -","8","1","SU5404","Boukhedena, Wafia; Fiala, Abdelali; Brahim Ladouani, Hayet; Lemallem, Salah Eddine; Hamdouni, Noudjoud; Boudjada, Ali","Crystal structure of ethyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","Acta Crystallographica Section E","2018","74","1","65","68","10.1107/S2056989017017893","","","0.71073","MoKα","","0.0632","0.0488","","","0.1268","0.1376","","","","","","1.075","","","","has coordinates,has Fobs","205727","2020-10-21","18:00:00",""
"2242348","9.7803","0.0006","10.4481","0.0005","13.3708","0.0008","101.438","0.002","101.015","0.002","109.073","0.002","1216.41","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc] dimethylformamide monosolvate]","","- C21 H27 N7 O5 Zn -","- C21 H27 N7 O5 Zn -","- C42 H54 N14 O10 Zn2 -","2","1","EB2003","Sukhikh, Taisiya S.; Semitut, Evgeny Yu.; Potapov, Andrei S.","Crystal structure of a Zn complex with terephthalate and 1,6-bis(1,2,4-triazol-1-yl)hexane","Acta Crystallographica Section E","2018","74","1","6","9","10.1107/S2056989017017224","","","0.71073","MoKα","","0.0805","0.0467","","","0.1045","0.118","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","205728","2020-10-21","18:00:00",""
"2242349","5.8008","0.0019","9.636","0.003","10.676","0.004","87.766","0.003","86.33","0.004","82.042","0.004","589.5","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","<i>N</i>-(1-Deoxy-β-<i>D</i>-fructopyranos-1-yl)-2-aminoisobutyric acid","","","- C10 H19 N O7 -","- C10 H19 N O7 -","- C20 H38 N2 O14 -","2","2","ZS2396","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","Crystal structure and hydrogen bonding in <i>N</i>-(1-deoxy-β-<small>D</small>-fructopyranos-1-yl)-2-aminoisobutyric acid","Acta Crystallographica Section E","2018","74","1","72","77","10.1107/S2056989017018060","","","0.71073","MoKα","","0.0342","0.0325","","","0.0796","0.0814","","","","","","1.028","","","","has coordinates,has Fobs","205729","2020-10-21","18:00:00",""
"2242350","8.7573","0.0002","12.8372","0.0003","9.7103","0.0002","90","","107.265","0.001","90","","1042.44","0.04","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triethylenetetraammonium hexachloridostannate(IV) dichloride dihydrate","","- C6 H26 Cl8 N4 O2 Sn -","- C6 H26 Cl8 N4 O2 Sn -","- C12 H52 Cl16 N8 O4 Sn2 -","2","0.5","TX2003","Bouchene, Rafika; Lecheheb, Zohir; Belhouas, Ratiba; Bouacida, Sofiane","Synthesis, X-ray diffraction and Hirshfeld surface analysis of two new hybrid dihydrate compounds: (C~6~H~22~N~4~)[SnCl~6~]Cl~2~·2H~2~O and (C~8~H~24~N~4~)[SnCl~6~]Cl~2~·2H~2~O","Acta Crystallographica Section E","2018","74","2","206","211","10.1107/S2056989018001044","","","0.71073","MoKα","","0.0308","0.0267","","","0.0625","0.0646","","","","","","1.174","","","","has coordinates","205873","2020-10-21","18:00:00",""
"2242351","7.0856","0.0002","7.3269","0.0002","12.1624","0.0004","93.614","0.002","101.357","0.001","117.021","0.002","543.01","0.03","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1,4-Bis(2-ammonioethyl)piperazin-1,4-diium hexachloridostannate(IV) dichloride dihydrate","","- C8 H28 Cl8 N4 O2 Sn -","- C8 H28 Cl8 N4 O2 Sn -","- C8 H28 Cl8 N4 O2 Sn -","1","0.5","TX2003","Bouchene, Rafika; Lecheheb, Zohir; Belhouas, Ratiba; Bouacida, Sofiane","Synthesis, X-ray diffraction and Hirshfeld surface analysis of two new hybrid dihydrate compounds: (C~6~H~22~N~4~)[SnCl~6~]Cl~2~·2H~2~O and (C~8~H~24~N~4~)[SnCl~6~]Cl~2~·2H~2~O","Acta Crystallographica Section E","2018","74","2","206","211","10.1107/S2056989018001044","","","0.71073","MoKα","","0.0278","0.0251","","","0.0623","0.0641","","","","","","1.132","","","","has coordinates","205873","2020-10-21","18:00:00",""
"2242352","6.9065","0.0002","6.9065","0.0002","12.7802","0.0005","90","","90","","120","","527.94","0.03","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Potassium europium sulfate","Potassium europium(III) bis(sulfate) monohydrate","","- Eu K O9 S2 -","- Eu K O9 S2 -","- Eu3 K3 O27 S6 -","3","0.5","GW2157","Paul, Avijit Kumar","Synthesis and crystal structure of a new polymorph of potassium europium(III) bis(sulfate) monohydrate, KEu(SO~4~)~2~·H~2~O","Acta Crystallographica Section E","2018","74","2","242","245","10.1107/S2056989018000567","","","0.71073","MoKα","","0.0247","0.0237","","","0.058","0.0584","","","","","","1.069","","","","has coordinates,has Fobs","205874","2020-10-21","18:00:00",""
"2242353","17.1","0.006","4.744","0.002","13.662","0.004","90","","106.83","0.02","90","","1060.8","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(2,4-difluorobenzoyloxy)benzene-1,2:4,5-tetracarboximide","","- C24 H8 F4 N2 O8 -","- C24 H8 F4 N2 O8 -","- C48 H16 F8 N4 O16 -","2","0.5","FY2124","Fusco, Sandra; Tuzi, Angela; Centore, Roberto; Carella, Antonio","Crystal structure of <i>N</i>,<i>N</i>'-bis(2,4-difluorobenzoyloxy)benzene-1,2:4,5-tetracarboximide","Acta Crystallographica Section E","2018","74","2","225","228","10.1107/S2056989018001226","","","0.71073","MoKα","","0.1052","0.0484","","","0.0975","0.1195","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","205875","2020-10-21","18:00:00",""
"2242354","9.9357","0.0013","9.7571","0.0013","38.999","0.005","90","","93.586","0.002","90","","3773.3","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[4-<i>tert</i>-Butyl-2,6-bis(diphenylmethyl)phenolato-κ<i>O</i>]diethyl(tetrahydrofuran-κ<i>O</i>)aluminium","","- C44 H51 Al O2 -","- C44 H51 Al O2 -","- C176 H204 Al4 O8 -","4","1","PJ2049","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.; Shlyahtin, Andrei V.","[4-<i>tert</i>-Butyl-2,6-bis(diphenylmethyl)phenolato-κ<i>O</i>]diethyl(tetrahydrofuran-κ<i>O</i>)aluminium","Acta Crystallographica Section E","2018","74","2","221","224","10.1107/S2056989018001172","","","0.71073","MoKα","","0.0683","0.0518","","","0.13","0.1398","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2242355","13.9203","0.0014","7.0285","0.0006","15.4294","0.0014","90","","114.544","0.012","90","","1373.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-Diamino-4-chloropyrimidin-1-ium 5-chlorosalicylate","2,6-Diamino-4-chloropyrimidin-1-ium 2-chloro-6-hydroxybenzoate","","- C11 H10 Cl2 N4 O3 -","- C11 H10 Cl2 N4 O3 -","- C44 H40 Cl8 N16 O12 -","4","1","ZL2723","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular interactions in 2,6-diamino-4-chloropyrimidin-1-ium 5-chlorosalicylate and bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2018","74","2","237","241","10.1107/S2056989018001196","","","0.71073","MoKα","","0.0785","0.0475","","","0.109","0.1278","","","","","","1.036","","","","has coordinates,has Fobs","205877","2020-10-21","18:00:00",""
"2242356","9.1696","0.0004","13.0848","0.0007","9.9663","0.0005","90","","90.526","0.005","90","","1195.73","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-disulfonate","Bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-disulfonate","","- C18 H18 Cl2 N8 O6 S2 -","- C18 H18 Cl2 N8 O6 S2 -","- C36 H36 Cl4 N16 O12 S4 -","2","0.5","ZL2723","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular interactions in 2,6-diamino-4-chloropyrimidin-1-ium 5-chlorosalicylate and bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2018","74","2","237","241","10.1107/S2056989018001196","","","0.71073","MoKα","","0.0472","0.0381","","","0.0962","0.1022","","","","","","1.049","","","","has coordinates,has Fobs","205877","2020-10-21","18:00:00",""
"2242357","11.6347","0.0007","16.5121","0.0009","24.5577","0.0017","90","","90","","90","","4717.9","0.5","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","Triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato-κ^2^<i>O</i>,<i>O</i>')cerium(III)","","- C15 H18 Ce F9 O9 -","- C15 H18 Ce F9 O9 -","- C120 H144 Ce8 F72 O72 -","8","1","VN2133","Koizumi, Atsuya; Hasegawa, Takuya; Itadani, Atsushi; Toda, Kenji; Zhu, Taoyun; Sato, Mineo","Structure of triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato)cerium(III) as a possible fluorescent compound","Acta Crystallographica Section E","2018","74","2","229","232","10.1107/S2056989018001135","","","0.71073","MoKα","","0.0483","0.0357","","","0.0869","0.0922","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","205878","2020-10-21","18:00:00",""
"2242358","11.6906","0.0004","13.2597","0.0003","12.6351","0.0004","90","","112.829","0.004","90","","1805.19","0.11","100","2","100","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","Poly[[tetra-μ~3~-iodido-μ~2~-iodido-bis(μ~3~-piperidine-1-dithiocarbamato)propionitrilepentacopper(I)nickel(II)] chloroform monosolvate]","","- C16 H26 Cl3 Cu5 I5 N3 Ni S4 -","- C16 H26 Cl3 Cu5 I5 N3 Ni S4 -","- C32 H52 Cl6 Cu10 I10 N6 Ni2 S8 -","2","0.5","IS5484","Himoto, Kento; Horii, Toshiya; Oda, Shoki; Suzuki, Shimpei; Sugimoto, Kunihisa; Okubo, Takashi; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi","Crystal structure of a new mixed-metal coordination polymer consisting of Ni^II^ piperidine-dithiocarbamate and pentanuclear Cu^I^—I cluster units","Acta Crystallographica Section E","2018","74","2","233","236","10.1107/S2056989018000750","","","0.71073","MoKα","","0.025","0.0206","","","0.0467","0.048","","","","","","1.021","","","","has coordinates,has Fobs","205879","2020-10-21","18:00:00",""
"2242359","5.2918","0.0003","7.1666","0.0004","8.4205","0.0007","92.069","0.006","104.165","0.006","97.172","0.005","306.47","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4-Aminobenzenaminium 5-carboxypentanoate","4-Aminoanilinium 5-carboxypentanoate","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","1","0.5","","Mishra, Risha; Rangan, Krishnan; Pallepogu, Raghavaiah","Crystal structure of a new molecular salt: 4-aminobenzenaminium 5-carboxypentanoate","Acta Crystallographica Section E","2018","74","2","201","205","10.1107/S2056989018000737","","","0.71073","MoKα","","0.0355","0.0339","","","0.0909","0.0923","","","","","","1.079","","","","has coordinates","205880","2020-10-21","18:00:00",""
"2242360","9.4262","0.0006","13.3761","0.0008","17.7998","0.0013","90","","90.068","0.007","90","","2244.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(4-methoxyphenyl)-1,6,3,4,2λ^5^,5λ^5^-dioxadithiadiphosphecane-2,5-dithione","","- C18 H22 O4 P2 S4 -","- C18 H22 O4 P2 S4 -","- C72 H88 O16 P8 S16 -","4","1","ZP2026","Przychodzeń, Witold; Chojnacki, Jarosław","Crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes and comparison with their <i>P</i>-ferrocenyl analogues","Acta Crystallographica Section E","2018","74","2","212","216","10.1107/S2056989018001068","","","0.71073","MoKα","","0.0972","0.0824","","","0.2223","0.2406","","","","","","1.05","","","","has coordinates,has Fobs","205881","2020-10-21","18:00:00",""
"2242361","7.2415","0.0003","7.2415","0.0003","39.516","0.002","90","","90","","90","","2072.19","0.16","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","2,5-Bis(4-methoxyphenyl)-1,6,3,4,2λ^5^,5λ^5^-dioxadithiadiphosphocane-2,5-dithione","","- C16 H18 O4 P2 S4 -","- C16 H18 O4 P2 S4 -","- C64 H72 O16 P8 S16 -","4","0.5","ZP2026","Przychodzeń, Witold; Chojnacki, Jarosław","Crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes and comparison with their <i>P</i>-ferrocenyl analogues","Acta Crystallographica Section E","2018","74","2","212","216","10.1107/S2056989018001068","","","0.71073","MoKα","","0.0426","0.038","","","0.0901","0.0921","","","","","","1.088","","","","has coordinates,has Fobs","205881","2020-10-21","18:00:00",""
"2242362","8.8108","0.0003","14.9044","0.0004","9.3583","0.0003","90","","113.391","0.004","90","","1127.93","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-{(<i>E</i>)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea","","- C10 H14 N4 S -","- C10 H14 N4 S -","- C40 H56 N16 S4 -","4","1","HB7729","Lai, Lee Chin; Rahman, Che Nursarah Binti Che Abdul; Tahir, M. Ibrahim M.; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","3-Methyl-1-{(<i>E</i>)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","2","256","260","10.1107/S2056989018001305","","","1.5418","CuKα","","0.0388","0.0348","","","0.0935","0.0973","","","","","","1.019","","","","has coordinates,has Fobs","206008","2020-10-21","18:00:00",""
"2242363","7.7034","0.0006","9.1228","0.0007","13.6833","0.0011","90","","98.845","0.008","90","","950.18","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trimethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)","","- C7 H17 Al O -","- C7 H17 Al O -","- C28 H68 Al4 O4 -","4","1","LH5865","Brieger, Lukas; Hermann, Andreas; Unkelbach, Christian; Strohmann, Carsten","Crystal structure and quantum-chemical calculations of a trimethylaluminium‒THF adduct","Acta Crystallographica Section E","2018","74","2","267","270","10.1107/S2056989018001275","","","0.71073","MoKα","","0.0625","0.0539","","","0.1477","0.1518","","","","","","1.086","","","","has coordinates,has Fobs","206009","2020-10-21","18:00:00",""
"2242364","21.145","0.004","14.738","0.003","15.471","0.003","90","","112.47","0.03","90","","4455.3","1.8","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[1-(5-Bromo-2-oxidobenzylidene)thiosemicarbazidato](4-bromo-2-{[2-(pyridin-2-yl)hydrazinylidene]methyl}phenolato)iron(III)","","- C20 H15 Br2 Fe N6 O2 S -","- C20 H15 Br2 Fe N6 O2 S -","- C160 H120 Br16 Fe8 N48 O16 S8 -","8","1","KQ2017","Zhao, Yun; Shen, Xiao-Feng; Zhang, Li-Fang","A new mononuclear neutral high-spin iron(III) complex with the different tridentate ligands 5-bromosalicylaldehyde (pyridin-2-yl)hydrazone and 5-bromosalicylaldehyde thiosemicarbazone","Acta Crystallographica Section E","2018","74","2","252","255","10.1107/S2056989018001263","","","0.71073","MoKα","","0.0767","0.0475","","","0.0947","0.1064","","","","","","0.998","","","","has coordinates,has Fobs","206010","2020-10-21","18:00:00",""
"2242365","19.408","0.004","13.518","0.003","21.714","0.004","90","","100.16","0.03","90","","5607","2","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Triethylammonium 3-[(4-hydroxy-3-methoxyphenyl)(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)methyl]-2-oxo-2<i>H</i>-chromen-4-olate","","- C32 H33 N O8 -","- C32 H33 N O8 -","- C256 H264 N8 O64 -","8","1","LH5866","Ikram, Muhammad; Rehman, Sadia; Khan, Afzal; Schulzke, Carola","Crystal structure of the triethylammonium salt of 3-[(4-hydroxy-3-methoxyphenyl)(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)methyl]-2-oxo-2<i>H</i>-chromen-4-olate","Acta Crystallographica Section E","2018","74","3","282","286","10.1107/S2056989018001561","","","0.71073","MoKα","","0.0825","0.0439","","","0.1092","0.1217","","","","","","0.895","","","","has coordinates,has Fobs","206076","2020-10-21","18:00:00",""
"2242366","35.5034","0.0008","10.5199","0.0001","35.7432","0.0008","90","","113.864","0.002","90","","12208.5","0.4","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4-methoxypyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III) bis[(4-methoxypyridine-κ<i>N</i>)pentakis(thiocyanato-κ<i>N</i>)ferrate(III)] hexakis(thiocyanato-κ<i>N</i>)ferrate(III)","","- C92 H92 Fe4 N32 O12 S20 -","- C92 H92 Fe4 N32 O12 S20 -","- C368 H368 Fe16 N128 O48 S80 -","4","0.5","WM5434","Jochim, Aleksej; Jess, Inke; Näther, Christian","Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III) bis[(4-methoxypyridine-κ<i>N</i>)pentakis(thiocyanato-κ<i>N</i>)ferrate(III)] hexakis(thiocyanato-κ<i>N</i>)ferrate(III) with iron in three different octahedral coordination environments","Acta Crystallographica Section E","2018","74","3","287","291","10.1107/S2056989018001883","","","0.71073","MoKα","","0.0477","0.0401","","","0.1019","0.1061","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","206077","2020-10-21","18:00:00",""
"2242367","9.1918","0.0007","20.3575","0.0014","7.2721","0.0005","90","","96.36","0.002","90","","1352.4","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(2-Chlorophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 Cl N2 O S -","- C14 H13 Cl N2 O S -","- C56 H52 Cl4 N8 O4 S4 -","4","1","SJ5543","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions","Acta Crystallographica Section E","2018","74","3","313","318","10.1107/S2056989018001251","","","0.71073","MoKα","","0.0592","0.0521","","","0.1158","0.1173","","","","","","1.22","","","","has coordinates,has disorder,has Fobs","206295","2020-10-21","18:00:00",""
"2242368","9.4479","0.0007","20.2175","0.0014","7.2552","0.0005","90","","96.9343","0.0013","90","","1375.7","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br N2 O S -","- C14 H13 Br N2 O S -","- C56 H52 Br4 N8 O4 S4 -","4","1","SJ5543","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions","Acta Crystallographica Section E","2018","74","3","313","318","10.1107/S2056989018001251","","","0.71073","MoKα","","0.0281","0.0247","","","0.0617","0.0637","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","206295","2020-10-21","18:00:00",""
"2242369","4.2194","0.0002","13.0131","0.0009","25.0758","0.0018","90","","93.752","0.004","90","","1373.9","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl N2 O S -","- C14 H13 Cl N2 O S -","- C56 H52 Cl4 N8 O4 S4 -","4","1","SJ5543","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions","Acta Crystallographica Section E","2018","74","3","313","318","10.1107/S2056989018001251","","","0.71075","MoKα","","0.193","0.1164","","","0.2616","0.2965","","","","","","1.164","","","","has coordinates,has disorder,has Fobs","206295","2020-10-21","18:00:00",""
"2242370","6.7454","0.0005","20.2993","0.0014","10.1592","0.0007","90","","97.51","0.002","90","","1379.14","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl N2 O S -","- C14 H13 Cl N2 O S -","- C56 H52 Cl4 N8 O4 S4 -","4","1","SJ5543","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions","Acta Crystallographica Section E","2018","74","3","313","318","10.1107/S2056989018001251","","","0.71073","MoKα","","0.0351","0.0329","","","0.0898","0.0912","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","206295","2020-10-21","18:00:00",""
"2242371","7.793","0.0005","19.0947","0.0016","22.1843","0.0017","90","","90","","90","","3301.1","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM-56; 3-(4-Bromophenyl)-1,5-diphenylformazan","<i>N</i>'-Anilino-4-bromo-<i>N</i>-(phenylimino)benzene-1-carboximidamide","","- C19 H15 Br N4 -","- C19 H15 Br N4 -","- C152 H120 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.1071","0.0574","","","0.1311","0.1525","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","206296","2020-10-21","18:00:00",""
"2242372","7.0881","0.0003","21.2183","0.0011","22.2028","0.0009","90","","90","","90","","3339.2","0.3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM61; 3-(4-Bromophenyl)-1,5-diphenylverdazyl radical","6-(4-Bromophenyl)-2,4-diphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazin-1-yl","","- C20 H16 Br N4 -","- C20 H16 Br N4 -","- C160 H128 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.0326","0.0292","","","0.0738","0.0755","","","","","","1.095","","","","has coordinates,has Fobs","206296","2020-10-21","18:00:00",""
"2242373","7.7989","0.0009","18.971","0.003","22.455","0.004","90","","90","","90","","3322.3","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM58NL","5-Anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","","- C20 H15 Br N4 -","- C20 H15 Br N4 -","- C160 H120 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.0963","0.0563","","","0.1111","0.126","","","","","","1.053","","","","has coordinates,has Fobs","206296","2020-10-21","18:00:00",""
"2242374","8.335","0.003","13.929","0.005","12.184","0.004","90","","95.902","0.01","90","","1407","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-{[2-(4-Hydroxybenzoyl)hydrazin-1-ylidene]methyl}pyridin-1-ium nitrate","","- C13 H12 N4 O5 -","- C13 H12 N4 O5 -","- C52 H48 N16 O20 -","4","1","SU5422","Naziri, Mir Abolfazl; Şahin, Ertan; Hökelek, Tuncer","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-{[2-(4-hydroxybenzoyl)hydrazin-1-ylidene]methyl}pyridin-1-ium nitrate","Acta Crystallographica Section E","2018","74","3","323","327","10.1107/S2056989018002141","","","0.71073","MoKα","","0.0738","0.0486","","","0.1285","0.1485","","","","","","1.038","","","","has coordinates,has Fobs","206297","2020-10-21","18:00:00",""
"2242375","8.3182","0.0013","9.613","0.0015","15.595","0.002","81.767","0.002","82.776","0.002","87.183","0.002","1223.8","0.3","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[trichlorido(quinoline-κ<i>N</i>)cobaltate(II)]","","- C30 H50 Cl6 Co3 N2 O6 S6 -","- C30 H50 Cl6 Co3 N2 O6 S6 -","- C30 H50 Cl6 Co3 N2 O6 S6 -","1","0.5","LH5868","Brescia, Tyler K.; Mulosmani, Kaltrina; Gulati, Shivani; Athanasopoulos, Demosthenes; Upmacis, Rita K.","Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[trichlorido(quinoline-κ<i>N</i>)cobaltate(II)]","Acta Crystallographica Section E","2018","74","3","309","312","10.1107/S2056989018001652","","","0.71073","MoKα","","0.0824","0.0445","","","0.1008","0.1161","","","","","","1.024","","","","has coordinates,has Fobs","206298","2020-10-21","18:00:00",""
"2242376","8.4632","0.0017","10.993","0.002","20.52","0.004","90","","99.6","0.03","90","","1882.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4-ethyl-11-fluoro-1,4,5,6,7,8-hexahydroazonino[5,6-<i>b</i>]indole-2,3-dicarboxylate","","- C20 H23 F N2 O4 -","- C20 H23 F N2 O4 -","- C80 H92 F4 N8 O16 -","4","1","KQ2018","Toze, Flavien A. A.; Listratova, Anna V.; Voskressensky, Leonid G.; Chernikova, Natalia Yu.; Lobanov, Nikolai N.; Bilyachenko, Alexey N.; Dorovatovskii, Pavel V.","Design of new anti-Alzheimer drugs: ring-expansion synthesis and synchrotron X-ray diffraction study of dimethyl 4-ethyl-11-fluoro-1,4,5,6,7,8-hexahydroazonino[5,6-<i>b</i>]indole-2,3-dicarboxylate","Acta Crystallographica Section E","2018","74","3","298","301","10.1107/S2056989018001329","","","0.9699","synchrotron","","0.1046","0.0716","","","0.1625","0.1841","","","","","","1.009","","","","has coordinates,has Fobs","206299","2020-10-21","18:00:00",""
"2242377","15.3405","0.0008","6.5204","0.0002","15.3612","0.001","90","","98.716","0.005","90","","1518.78","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Bromo-2-ethoxy-6-{[(2-methoxyphenyl)imino]methyl}phenol","","- C16 H16 Br N O3 -","- C16 H16 Br N O3 -","- C64 H64 Br4 N4 O12 -","4","1","XU5918","Özek Yıldırım, Arzu; Gülsu, Murat; Albayrak Kaştaş, Çiğdem","Synthesis, crystal structure and computational studies of a new Schiff base compound: (<i>E</i>)-4-bromo-2-ethoxy-6-{[(2-methoxyphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2018","74","3","319","322","10.1107/S2056989018002062","","","0.71073","MoKα","","0.0589","0.0415","","","0.0847","0.0911","","","","","","1.063","","","","has coordinates,has Fobs","206300","2020-10-21","18:00:00",""
"2242378","8.5553","0.0012","11.4379","0.0016","17.333","0.002","101.247","0.002","98.392","0.001","104.99","0.002","1572","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1,2-Bis(6-bromo-9-hexyl-9<i>H</i>-carbazol-3-yl)ethene","","- C38 H40 Br2 N2 -","- C38 H40 Br2 N2 -","- C76 H80 Br4 N4 -","2","1","EX2004","Feng, Ying; Guo, Wei; Liu, Zhi; Luo, Xinyu; Zhang, Dingchao; Li, Li; Cui, Deliang","Crystal structure of (<i>E</i>)-1,2-bis(6-bromo-9-hexyl-9<i>H</i>-carbazol-3-yl)ethene","Acta Crystallographica Section E","2018","74","3","337","340","10.1107/S2056989018002098","","","0.71073","MoKα","","0.0448","0.0312","","","0.0926","0.1064","","","","","","0.768","","","","has coordinates,has Fobs","206429","2020-10-21","18:00:00",""
"2242379","5.7882","0.0001","9.2095","0.0002","20.2485","0.0004","90","","91.701","0.001","90","","1078.9","0.04","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Bipyridin-1'-ium 1-oxide bromide monohydrate","","- C10 H11 Br N2 O2 -","- C10 H11 Br N2 O2 -","- C40 H44 Br4 N8 O8 -","4","1","ZL2721","Heintz, Katharina; Görls, Helmar; Imhof, Wolfgang","2,2'-Bipyridin-1'-ium 1-oxide bromide monohydrate","Acta Crystallographica Section E","2018","74","3","341","344","10.1107/S2056989018002347","","","0.71073","MoKα","","0.0283","0.023","","","0.0495","0.0524","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","206430","2020-10-21","18:00:00",""
"2242380","7.928","0.005","4.843","0.003","11.444","0.007","90","","94.03","0.05","90","","438.3","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","(<i>E</i>)-1-naphthaldehyde oxime","(<i>E</i>)-1-Naphthaldehyde oxime","","- C11 H9 N O -","- C11 H9 N O -","- C22 H18 N2 O2 -","2","1","ZS2397","Lasri, Jamal; Chulvi, Katherine; Eltayeb, Naser Eltaher","Crystal structures of (<i>E</i>)-1-naphthaldehyde oxime and (<i>E</i>)-phenanthrene-9-carbaldehyde oxime","Acta Crystallographica Section E","2018","74","3","332","336","10.1107/S2056989018002116","","","0.71073","MoKα","","0.1179","0.0551","","","0.0825","0.0983","","","","","","1.063","","","","has coordinates,has Fobs","206431","2020-10-21","18:00:00",""
"2242381","8.2397","0.0008","4.9728","0.0005","13.9332","0.0014","90","","106.68","0.007","90","","546.88","0.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>E</i>-phenanthrene-9-carbaldehyde oxime","(<i>E</i>)-Phenanthrene-9-carbaldehyde oxime","","- C15 H11 N O -","- C15 H11 N O -","- C30 H22 N2 O2 -","2","1","ZS2397","Lasri, Jamal; Chulvi, Katherine; Eltayeb, Naser Eltaher","Crystal structures of (<i>E</i>)-1-naphthaldehyde oxime and (<i>E</i>)-phenanthrene-9-carbaldehyde oxime","Acta Crystallographica Section E","2018","74","3","332","336","10.1107/S2056989018002116","","","0.71073","MoKα","","0.0634","0.04","","","0.0833","0.0933","","","","","","1.041","","","","has coordinates,has Fobs","206431","2020-10-21","18:00:00",""
"2242382","3.9455","0.0003","6.0809","0.0005","14.6836","0.0011","82.653","0.006","88.638","0.006","84.601","0.007","347.82","0.05","298","0.1","298","0.1","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-1,4-Bis(4-chlorophenyl)but-2-ene-1,4-dione","","- C16 H10 Cl2 O2 -","- C16 H10 Cl2 O2 -","- C16 H10 Cl2 O2 -","1","0.5","ZL2724","Lastovickova, Dominika N.; La Scala, John J.; Sausa, Rosario C.","Synthesis and crystal structures of (2<i>E</i>)-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione and (2<i>E</i>)-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione","Acta Crystallographica Section E","2018","74","3","352","356","10.1107/S205698901800230X","","","0.71073","MoKα","","0.0549","0.0475","","","0.0997","0.1036","","","","","","1.155","","","","has coordinates,has Fobs","206432","2020-10-21","18:00:00",""
"2242383","14.4391","0.0007","3.9937","0.0002","12.7244","0.0007","90","","97.827","0.005","90","","726.92","0.07","298","0.1","298","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1,4-Bis(4-bromophenyl)but-2-ene-1,4-dione","","- C16 H10 Br2 O2 -","- C16 H10 Br2 O2 -","- C32 H20 Br4 O4 -","2","0.5","","Lastovickova, Dominika N.; La Scala, John J.; Sausa, Rosario C.","Synthesis and crystal structures of (2<i>E</i>)-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione and (2<i>E</i>)-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione","Acta Crystallographica Section E","2018","74","3","352","356","10.1107/S205698901800230X","","","0.71073","MoKα","","0.0395","0.0292","","","0.0602","0.065","","","","","","1.078","","","","has coordinates,has Fobs","206432","2020-10-21","18:00:00",""
"2242384","15.8021","0.0008","7.4706","0.0004","17.8599","0.0009","90","","96.581","0.002","90","","2094.49","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C26 H20 O5 -","- C26 H20 O5 -","- C104 H80 O20 -","4","1","IS5487","Jagadeesan, Gajendran; Chandramalar, Immanuel Monica; Karunakaran, Jayachandran; Gopinath, Solaiappan; Mohanakrishnan, Arasambattu K.","Crystal structure of dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","Acta Crystallographica Section E","2018","74","3","349","351","10.1107/S2056989018002360","","","0.71073","MoKα","","0.0588","0.0385","","","0.0962","0.1077","","","","","","1.026","","","","has coordinates,has Fobs","206433","2020-10-21","18:00:00",""
"2242385","12.434","0.0008","13.9981","0.001","14.4912","0.0009","77.86","0.004","67.57","0.004","64.036","0.004","2093.3","0.3","243","2","243","2","","","","","","","","7","P -1","-P 1","2","Fe4NiS6","Decacarbonyl(μ~3~-3,7-dithianonane-1,9-dithiolato)bis(μ~2~-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate","","- C25 H30 Cl4 Fe4 Ni O10 S8 -","- C25 H30 Cl4 Fe4 Ni O10 S8 -","- C50 H60 Cl8 Fe8 Ni2 O20 S16 -","2","1","","Ren, Gan; Sang, Ge","Synthesis and crystal structure of decacarbonyl(μ~3~-3,7-dithianonane-1,9-dithiolato)bis(μ~2~-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate","Acta Crystallographica Section E","2018","74","3","328","331","10.1107/S2056989018001731","","","0.71073","MoKα","","0.0445","0.0319","","","0.0685","0.0751","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","206434","2020-10-21","18:00:00",""
"2242386","3.9273","0.0018","17.881","0.008","14.739","0.007","90","","93.757","0.007","90","","1032.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","RCN","Methyl 3,5-dibromo-4-cyanobenzoate","","- C9 H5 Br2 N O2 -","- C9 H5 Br2 N O2 -","- C36 H20 Br8 N4 O8 -","4","1","LH5870","Noland, Wayland E.; Herzig, Ryan J.; Engwall, Abigail J.; Jensen, Renee C.; Tritch, Kenneth J.","Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate","Acta Crystallographica Section E","2018","74","3","345","348","10.1107/S2056989018002256","","","0.71073","MoKα","","0.0373","0.0263","","","0.0564","0.0593","","","","","","1.069","","","","has coordinates,has Fobs","206435","2020-10-21","18:00:00",""
"2242387","3.9233","0.0009","13.554","0.003","18.672","0.004","90","","90.002","0.003","90","","992.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RNC","Methyl 3,5-dibromo-4-isocyanobenzoate","","- C9 H5 Br2 N O2 -","- C9 H5 Br2 N O2 -","- C36 H20 Br8 N4 O8 -","4","1","","Noland, Wayland E.; Herzig, Ryan J.; Engwall, Abigail J.; Jensen, Renee C.; Tritch, Kenneth J.","Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate","Acta Crystallographica Section E","2018","74","3","345","348","10.1107/S2056989018002256","","","0.71073","MoKα","","0.0322","0.0287","","","0.0673","0.0689","","","","","","1.024","","","","has coordinates,has Fobs","206435","2020-10-21","18:00:00",""
"2242388","16.602","0.006","15.546","0.006","7.915","0.003","90","","99.344","0.008","90","","2015.7","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,3-Bis[3-(trifluoromethyl)phenyl]-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","","- C22 H13 F6 N O S -","- C22 H13 F6 N O S -","- C88 H52 F24 N4 O4 S4 -","4","1","HB7726","Yennawar, Hemant P.; Buchwalter, Michaela J.; Colburn, Baylee K.; Silverberg, Lee J.","Crystal structures of two 2,3-diaryl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-ones","Acta Crystallographica Section E","2018","74","3","363","366","10.1107/S2056989018002049","","","0.71073","MoKα","","0.1922","0.1108","","","0.2624","0.3292","","","","","","0.913","","","","has coordinates,has disorder,has Fobs","206529","2020-10-21","18:00:00",""
"2242389","24.821","0.007","12.151","0.003","26.219","0.007","90","","112.47","0.004","90","","7307","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-Bis(4-methylphenyl)-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","","- C22 H19 N O S -","- C22 H19 N O S -","- C352 H304 N16 O16 S16 -","16","2","","Yennawar, Hemant P.; Buchwalter, Michaela J.; Colburn, Baylee K.; Silverberg, Lee J.","Crystal structures of two 2,3-diaryl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-ones","Acta Crystallographica Section E","2018","74","3","363","366","10.1107/S2056989018002049","","","0.71073","MoKα","","0.0927","0.0578","","","0.1535","0.1735","","","","","","0.958","","","","has coordinates,has Fobs","206529","2020-10-21","18:00:00",""
"2242390","17.1509","0.0008","17.1509","0.0008","11.9033","0.0007","90","","90","","90","","3501.4","0.3","293","2","293","2","","","","","","","","4","I -4","I -4","82","6-Methoxy-9-methyl-12-(pyridin-3-yl)-8-oxa-10,11,13,15-tetraazatetracyclo\ [7.6.1.0^2,7^.0^10,14^]hexadeca-2(7),3,5,11,13-pentaene","7-Ethoxy-5-methyl-2-(pyridin-3-yl)-11,12-dihydro-5,11-methano-1,2,4]-triazolo[1,5-<i>c</i>][1,3,5]benzoxadiazocine","","- C19 H19 N5 O2 -","- C19 H19 N5 O2 -","- C152 H152 N40 O16 -","8","1","XU5917","Aydemir, Ercan; Kansiz, Sevgi; Gumus, Mustafa Kemal; Gorobets, Nikolay Yu.; Dege, Necmi","Crystal structure and Hirshfeld surface analysis of 7-ethoxy-5-methyl-2-(pyridin-3-yl)-11,12-dihydro-5,11-methano[1,2,4]triazolo[1,5-<i>c</i>][1,3,5]benzoxadiazocine","Acta Crystallographica Section E","2018","74","3","367","370","10.1107/S2056989018002621","","","0.71073","MoKα","","0.0734","0.0419","","","0.0789","0.0879","","","","","","0.899","","","","has coordinates,has Fobs","206530","2020-10-21","18:00:00",""
"2242391","8.887","0.003","9.46","0.003","11.214","0.003","85.408","0.004","69.978","0.004","64.097","0.004","794.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis[chloridobis(3,4,5-trimethyl-1<i>H</i>-pyrazole-\ κ<i>N</i>^2^)copper(II)]","","- C24 H40 Cl4 Cu2 N8 -","- C24 H40 Cl4 Cu2 N8 -","- C24 H40 Cl4 Cu2 N8 -","1","0.5","VM2208","Vincent, Collin J.; Giles, Ian D.; Deschamps, Jeffrey R.","Two Cu^II^ complexes of 3,4,5-trimethyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2018","74","3","357","362","10.1107/S2056989018002359","","","0.71073","MoKα","","0.0844","0.0457","","","0.1188","0.1378","","","","","","0.881","","","","has coordinates,has Fobs","206531","2020-10-21","18:00:00",""
"2242392","20.107","0.007","7.8939","0.0016","20.472","0.004","90","","102.651","0.002","90","","3170.5","1.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Aquatetrakis(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) dinitrate","","- C24 H42 Cu N10 O7 -","- C24 H42 Cu N10 O7 -","- C96 H168 Cu4 N40 O28 -","4","0.5","VM2208","Vincent, Collin J.; Giles, Ian D.; Deschamps, Jeffrey R.","Two Cu^II^ complexes of 3,4,5-trimethyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2018","74","3","357","362","10.1107/S2056989018002359","","","0.71073","MoKα","","0.069","0.0445","","","0.1209","0.1353","","","","","","0.906","","","","has coordinates,has Fobs","206531","2020-10-21","18:00:00",""
"2242393","9.0385","0.0003","12.2518","0.0004","10.5452","0.0003","90","","96.102","0.001","90","","1161.14","0.06","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4-Nitrophenyl)methyl 2,3-dihydro-1<i>H</i>-pyrrole-1-carboxylate","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","HB7736","Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Garcia, Ariel L. L.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(4-Nitrophenyl)methyl 2,3-dihydro-1<i>H</i>-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2018","74","3","371","375","10.1107/S2056989018002451","","","0.71073","MoKα","","0.0482","0.0408","","","0.1098","0.1171","","","","","","1.089","","","","has coordinates,has Fobs","206645","2020-10-21","18:00:00",""
"2242394","7.6399","0.0005","10.5071","0.0007","14.9243","0.0011","90","","97.942","0.003","90","","1186.53","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-Methyl-5-nitro-1<i>H</i>-imidazole-2-carbaldehyde <i>O</i>-benzyloxime","","- C12 H12 N4 O3 -","- C12 H12 N4 O3 -","- C48 H48 N16 O12 -","4","1","MW2136","Osorio, Luis F. B.; Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Milne, Bruce F.; Wardell, James L.; Harrison, William T. A.","Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives","Acta Crystallographica Section E","2018","74","3","380","384","10.1107/S2056989018002876","","","0.71073","MoKα","","0.069","0.047","","","0.1171","0.1261","","","","","","0.949","","","","has coordinates,has Fobs","206646","2020-10-21","18:00:00",""
"2242395","7.5484","0.0002","12.6442","0.0004","13.415","0.0009","90","","102.988","0.007","90","","1247.62","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Methyl-5-nitro-1<i>H</i>-imidazole-2-carbaldehyde <i>O</i>-(4-fluorobenzyl) oxime","","- C12 H11 F N4 O3 -","- C12 H11 F N4 O3 -","- C48 H44 F4 N16 O12 -","4","1","MW2136","Osorio, Luis F. B.; Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Milne, Bruce F.; Wardell, James L.; Harrison, William T. A.","Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives","Acta Crystallographica Section E","2018","74","3","380","384","10.1107/S2056989018002876","","","0.71073","MoKα","","0.044","0.0338","","","0.0906","0.0943","","","","","","1.09","","","","has coordinates,has Fobs","206646","2020-10-21","18:00:00",""
"2242396","7.6024","0.0002","12.7526","0.0003","13.8954","0.0005","90","","104.869","0.002","90","","1302.05","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Methyl-5-nitro-1<i>H</i>-imidazole-2-carbaldehyde <i>O</i>-(4-bromobenzyl) oxime","","- C12 H11 Br N4 O3 -","- C12 H11 Br N4 O3 -","- C48 H44 Br4 N16 O12 -","4","1","MW2136","Osorio, Luis F. B.; Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Milne, Bruce F.; Wardell, James L.; Harrison, William T. A.","Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives","Acta Crystallographica Section E","2018","74","3","380","384","10.1107/S2056989018002876","","","0.71073","MoKα","","0.0528","0.0506","","","0.1384","0.1403","","","","","","1.113","","","","has coordinates,has Fobs","206646","2020-10-21","18:00:00",""
"2242397","13.083","0.0017","5.8746","0.0006","14.825","0.002","90","","101.521","0.004","90","","1116.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-chlorobenzylidene)-2-hydroxyaniline","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","ZL2725","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Reinvestigation of the crystal structure of <i>N</i>-(4-chlorobenzylidene)-2-hydroxyaniline: a three-dimensional structure containing O—H···N, O—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section E","2018","74","3","376","379","10.1107/S205698901800244X","","","0.71073","MoKα","","0.0891","0.0421","","","0.0855","0.1058","","","","","","1.019","","","","has coordinates,has Fobs","206647","2020-10-21","18:00:00",""
"2242398","12.1129","0.0003","7.8973","0.0002","12.9253","0.0003","90","","94.93","0.001","90","","1231.85","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4a<i>R</i>,5<i>R</i>,6<i>R</i>,6a<i>S</i>,7<i>R</i>,11a<i>S</i>,11b<i>R</i>)-4a,6-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-5-yl 3-phenylprop-2-enoate","","- C29 H36 O5 -","- C29 H36 O5 -","- C58 H72 O10 -","2","1","IS5486","Ogbeide, K. Osahon; Kumar, Rajesh; Mujeeb-Ur-Rehman; Owolabi, Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol","Acta Crystallographica Section E","2018","74","3","385","389","10.1107/S2056989018002499","","","1.54178","CuKα","","0.0398","0.0347","","","0.0819","0.0845","","","","","","1.004","","","","has coordinates,has Fobs","206648","2020-10-21","18:00:00",""
"2242399","8.24","0.001","10.631","0.001","13.72","0.002","108.15","0.01","98.36","0.01","105.07","0.01","1068.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-Chloro-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C18 H20 Cl N5 O6 S -","- C18 H20 Cl N5 O6 S -","- C36 H40 Cl2 N10 O12 S2 -","2","1","RZ5227","Purandara, H.; Foro, S.; Thimme Gowda, B.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-chloro-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2018","74","3","394","399","10.1107/S205698901800292X","","","0.71073","MoKα","","0.1402","0.0895","","","0.1464","0.1668","","","","","","1.319","","","","has coordinates,has Fobs","206649","2020-10-21","18:00:00",""
"2242400","10.5652","0.0007","7.9136","0.0006","20.8153","0.0013","90","","118.408","0.004","90","","1530.77","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-[({4-[(Pyridin-2-ylmethylidene)amino]phenyl}amino)methyl]phenol","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure and DFT study of (<i>E</i>)-4-[({4-[(pyridin-2-ylmethylidene)amino]phenyl}amino)methyl]phenol","Acta Crystallographica Section E","2018","74","3","410","413","10.1107/S2056989018003043","","","0.71073","MoKα","","0.124","0.0404","","","0.0771","0.0922","","","","","","0.731","","","","has coordinates,has Fobs","206716","2020-10-21","18:00:00",""
"2242401","8.3169","0.0012","34.28","0.005","10.101","0.0014","90","","114.293","0.004","90","","2624.8","0.7","298","2","298.31","","","","","","","","","4","P 1 21 1","P 2yb","4","","(7<i>S</i>,9<i>S</i>)-7-{[(2<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-4-Azaniumyl-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7<i>H</i>-tetracen-5,12-dione nitrate","","- C27 H30 N2 O14 -","- C27 H30 N2 O14 -","- C108 H120 N8 O56 -","4","2","WM5435","Mathivathanan, Logesh; Yang, Guang; Leng, Fenfei; Raptis, Raphael G.","Crystal structure and conformational analysis of doxorubicin nitrate","Acta Crystallographica Section E","2018","74","3","400","405","10.1107/S2056989018002955","","","0.71073","MoKα","","0.0951","0.0498","","","0.0814","0.093","","","","","","1.008","","","","has coordinates,has Fobs","206717","2020-10-21","18:00:00",""
"2242402","8.2226","0.0006","14.5382","0.0009","14.723","0.0008","90","","100.02","0.006","90","","1733.17","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Isopropyl-4-methoxy-5-methylphenyl 4-methylbenzenesulfonate","","- C18 H22 O4 S -","- C18 H22 O4 S -","- C72 H88 O16 S4 -","4","1","XU5919","Laamari, Yassine; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed; Kouili, Mostafa","Crystal structure of 2-isopropyl-4-methoxy-5-methylphenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2018","74","3","419","421","10.1107/S2056989018003110","","","0.71073","MoKα","","0.0596","0.0419","","","0.098","0.1098","","","","","","1.055","","","","has coordinates,has Fobs","206718","2020-10-21","18:00:00",""
"2242403","10.3142","0.001","6.1114","0.0008","20.844","0.003","90","","92.83","0.01","90","","1312.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate","","- C28 H34 N2 O5 -","- C28 H34 N2 O5 -","- C56 H68 N4 O10 -","2","1","HB7734","Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Machado, Angelo H. L.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2018","74","3","414","418","10.1107/S2056989018003092","","","0.71073","MoKα","","0.1094","0.0562","","","0.1263","0.1437","","","","","","0.979","","","","has coordinates,has Fobs","206719","2020-10-21","18:00:00",""
"2242404","3.8064","0.0002","16.156","0.001","11.4585","0.0004","90","","93.472","0.004","90","","703.36","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Cyanophenylboronic acid","","- C7 H6 B N O2 -","- C7 H6 B N O2 -","- C28 H24 B4 N4 O8 -","4","1","","Cárdenas-Valenzuela, A. Jaquelin; González-García, Gerardo; Zárraga- Nuñez, Ramón; Höpfl, Herbert; Campos-Gaxiola, José J.; Cruz-Enríquez, Adriana","Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid","Acta Crystallographica Section E","2018","74","4","441","444","10.1107/S2056989018003146","","","0.71073","MoKα","","0.0441","0.0422","","","0.1089","0.1103","","","","","","1.088","","","","has coordinates,has Fobs","206761","2020-10-21","18:00:00",""
"2242405","7.4","0.05","12.87","0.05","13.92","0.05","90","","101.9","0.5","90","","1297","11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-<i>N</i>-((<i>S</i>)-{(2<i>S</i>,4<i>R</i>,6<i>R</i>)-6-[(<i>S</i>)-2,3-Dihydroxypropyl]-4-hydroxy-5,5-dimethyltetrahydro-2<i>H</i>-pyran-2-yl}(hydroxy)methyl)-2-hydroxy-2-[(2<i>R</i>,5<i>R</i>,6<i>R</i>)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2<i>H</i>-pyran-2-yl]acetamide methanol monosolvate","","- C23 H43 N O10 -","- C23 H43 N O10 -","- C46 H86 N2 O20 -","2","1","","Szebenyi, D. Marian; Kriksunov, Irina; Howe, Kevin J.; Ramsey, John S.; Hall, David G.; Heck, Michelle L.; Krasnoff, Stuart B.","Crystal structure of diaphorin methanol monosolvate isolated from <i>Diaphorina citri</i> Kuwayama, the insect vector of citrus greening disease","Acta Crystallographica Section E","2018","74","4","445","449","10.1107/S2056989018002992","","","0.9768","synchrotron","","0.0443","0.0442","","","0.1092","0.1095","","","","","","1.063","","","","has coordinates,has Fobs","206762","2020-10-21","18:00:00",""
"2242406","7.39","0.004","15.373","0.004","15.387","0.004","90","","98.203","0.004","90","","1730.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2,6-diaminopyridinium) tetrachloridocobaltate(II)","","- C10 H16 Cl4 Co N6 -","- C10 H16 Cl4 Co N6 -","- C40 H64 Cl16 Co4 N24 -","4","1","HB7732","Ben Moussa, Oumaima; Chebbi, Hammouda; Zid, Mohamed Faouzi","Crystal structure and Hirshfeld surface analysis of bis(2,6-diaminopyridinium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2018","74","4","436","440","10.1107/S2056989018003171","","","0.71073","MoKα","","0.0899","0.0436","","","0.0937","0.1098","","","","","","1.014","","","","has coordinates,has Fobs","206763","2020-10-21","18:00:00",""
"2242407","15.801","0.006","10.28","0.004","18.46","0.007","90","","90","","90","","2999","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>S</i>)-2-(3-Nitrophenyl)-3-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","1","HB7733","Yennawar, Hemant P.; Bradley, Heather G.; Perhonitch, Kristen C.; Reppert, Haley E.; Silverberg, Lee J.","Spontaneous resolution and crystal structure of (2<i>S</i>)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one; crystal structure of <i>rac</i>-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one","Acta Crystallographica Section E","2018","74","4","454","457","10.1107/S2056989018003444","","","0.71073","MoKα","","0.1223","0.0776","","","0.1954","0.2163","","","","","","1.188","","","","has coordinates,has Fobs","206839","2020-10-21","18:00:00",""
"2242408","8.6877","0.0017","9.6547","0.0019","18.137","0.004","90","","90","","90","","1521.3","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>rac</i>-2-(4-Nitrophenyl)-3-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C64 H56 N8 O12 S4 -","4","1","","Yennawar, Hemant P.; Bradley, Heather G.; Perhonitch, Kristen C.; Reppert, Haley E.; Silverberg, Lee J.","Spontaneous resolution and crystal structure of (2<i>S</i>)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one; crystal structure of <i>rac</i>-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one","Acta Crystallographica Section E","2018","74","4","454","457","10.1107/S2056989018003444","","","0.71073","MoKα","","0.0534","0.0448","","","0.1151","0.1211","","","","","","1.012","","","","has coordinates,has Fobs","206839","2020-10-21","18:00:00",""
"2242409","10.2069","0.0003","6.3761","0.0002","23.2265","0.0007","90","","101.454","0.001","90","","1481.48","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","2-Oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C68 H60 N12 O12 -","4","1","FF2152","Elkin, Igor; Maris, Thierry; Melkoumov, Alexandre; Hildgen, Patrice; Banquy, Xavier; Leclair, Grégoire; Barrett, Christopher","Crystal structure of 2-oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate","Acta Crystallographica Section E","2018","74","4","458","460","10.1107/S205698901800333X","","","1.34139","GaKα","","0.0767","0.0697","","","0.1913","0.2008","","","","","","1.096","","","","has coordinates,has Fobs","206840","2020-10-21","18:00:00",""
"2242410","20.113","0.0015","10.3898","0.0007","15.5934","0.0012","90","","97.452","0.002","90","","3231","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(20<i>S</i>)-21-[4-(2-Hydroxypropan-2-yl)-1<i>H</i>-1,2,3-triazol-4-yl]-20-(4-methylpentyl)-5-pregnen-3β-ol","","- C32 H53 N3 O2 -","- C32 H53 N3 O2 -","- C128 H212 N12 O8 -","4","1","","Santalla, Hugo; Argibay, Saray","Crystal structure of (20<i>S</i>)-21-[4-(2-hydroxypropan-2-yl)-1<i>H</i>-1,2,3-triazol-4-yl]-20-(4-methylpentyl)-5-pregnen-3β-ol with an unknown solvate","Acta Crystallographica Section E","2018","74","4","465","468","10.1107/S2056989018003286","","","0.71073","MoKα","","0.0471","0.0444","","","0.1195","0.122","","","","","","1.024","","","","has coordinates,has disorder","206841","2020-10-21","18:00:00",""
"2242411","11.3306","0.0003","13.3638","0.0004","10.9821","0.0003","90","","91.996","0.002","90","","1661.9","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Chloroethyl)-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","SJ5546","Rajkumar, K.; Sivakumar, S.; Arulraj, R.; Kaur, Manpreet; Jasinski, Jerry P.; Manimekalai, A.; Thiruvalluvar, A.","Crystal structures of two new 3-(2-chloroethyl)-<i>r</i>(2),<i>c</i>(6)-diarylpiperidin-4-ones","Acta Crystallographica Section E","2018","74","4","483","486","10.1107/S2056989018003766","","","1.54184","CuKα","","0.0673","0.0546","","","0.1466","0.1584","","","","","","1.052","","","","has coordinates,has Fobs","206886","2020-10-21","18:00:00",""
"2242412","5.5105","0.0002","24.2612","0.0006","12.8622","0.0003","90","","93.809","0.003","90","","1715.77","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2-chloroethyl)-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)piperidin-4-one","","- C19 H18 Cl F2 N O -","- C19 H18 Cl F2 N O -","- C76 H72 Cl4 F8 N4 O4 -","4","1","SJ5546","Rajkumar, K.; Sivakumar, S.; Arulraj, R.; Kaur, Manpreet; Jasinski, Jerry P.; Manimekalai, A.; Thiruvalluvar, A.","Crystal structures of two new 3-(2-chloroethyl)-<i>r</i>(2),<i>c</i>(6)-diarylpiperidin-4-ones","Acta Crystallographica Section E","2018","74","4","483","486","10.1107/S2056989018003766","","","1.54184","CuKα","","0.0559","0.0464","","","0.1226","0.1314","","","","","","1.039","","","","has coordinates,has Fobs","206886","2020-10-21","18:00:00",""
"2242413","13.9135","0.0014","21.9492","0.001","6.4529","0.0006","90","","128.314","0.016","90","","1546.2","0.4","173","2","173","2","","","","","","","","6","C 1 m 1","C -2y","8","","2-Bromo-1,3-dimethylimidazolium iodide chloroform 0.33-solvate","","- C5.33333 H8.33333 Br Cl I N2 -","- C5.33333 H8.33333 Br Cl I N2 -","- C32 H50 Br6 Cl6 I6 N12 -","6","1.5","HB7718","Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides","Acta Crystallographica Section E","2018","74","4","497","501","10.1107/S2056989018003390","","","0.71073","MoKα","","0.0224","0.0183","","","0.0341","0.0349","","","","","","0.953","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2242414","16.0223","0.0008","8.5334","0.0004","16.2881","0.0008","90","","101.59","0.001","90","","2181.58","0.18","193","2","193","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","2-Bromo-1,3-dimethylimidazolium iodide dichloromethane hemisolvate","","- C11 H18 Br2 Cl2 I2 N4 -","- C11 H18 Br2 Cl2 I2 N4 -","- C44 H72 Br8 Cl8 I8 N16 -","4","1","HB7718","Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides","Acta Crystallographica Section E","2018","74","4","497","501","10.1107/S2056989018003390","","","0.71073","MoKα","","0.0251","0.0224","","","0.0611","0.0628","","","","","","1.088","","","","has coordinates,has Fobs","206887","2020-10-21","18:00:00",""
"2242415","6.0861","0.0004","14.4773","0.0011","12.0303","0.0007","90","","97.812","0.005","90","","1050.16","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Bromo-1,3-dimethylimidazolium iodide hemi(diiodide)","","- C10 H16 Br2 I4 N4 -","- C10 H16 Br2 I4 N4 -","- C20 H32 Br4 I8 N8 -","2","0.5","HB7718","Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides","Acta Crystallographica Section E","2018","74","4","497","501","10.1107/S2056989018003390","","","0.71073","MoKα","","0.0406","0.0357","","","0.0787","0.0801","","","","","","1.343","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2242416","19.79","0.004","19.95","0.004","20.225","0.004","90","","118.17","0.03","90","","7039","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(η^6^-<i>p</i>-cymene)(2'-dicyclohexylphosphanyl-2,6-dimethoxybiphenyl-κ<i>P</i>)ruthenium(II)","","- C36 H49 Cl2 O2 P Ru -","- C36 H49 Cl2 O2 P Ru -","- C288 H392 Cl16 O16 P8 Ru8 -","8","2","SU5428","Makarova, Maria; Tsygankov, Alexey A.; Chusova, Olga; Linko, Ivan V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.","Synthesis, crystal structure and catalytic activity in reductive amination of dichlorido(η^6^-<i>p</i>-cymene)(2'-dicyclohexylphosphanyl-2,6-dimethoxybiphenyl-κ<i>P</i>)ruthenium(II)","Acta Crystallographica Section E","2018","74","4","487","491","10.1107/S2056989018003821","","","0.9626","synchrotron","","0.0788","0.0591","","","0.1421","0.1598","","","","","","1.07","","","","has coordinates,has Fobs","206888","2020-10-21","18:00:00",""
"2242417","12.4644","0.0004","18.1145","0.0004","8.272","0.0003","90","","105.835","0.003","90","","1796.83","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,5'-Diallyl-2,2',3'-trimethoxydiphenyl ether","1,2-Dimethoxy-3-[3-methoxy-5-(prop-2-en-1-yl)phenoxy]-5-(prop-2-en-1-yl)benzene","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","HB7741","Grecco, Simone S.; Jerz, Gerold; Lago, Joao Henrique G.; Jones, Peter G.","Crystal structure of Dehydrodieugenol B methyl ether, a neolignan from <i>Nectandra leucantha</i> Nees and Mart (Lauraceae)","Acta Crystallographica Section E","2018","74","4","518","521","10.1107/S2056989018003717","","","0.71073","MoKα","","0.0475","0.04","","","0.0979","0.1023","","","","","","1.041","","","","has coordinates,has Fobs","206889","2020-10-21","18:00:00",""
"2242418","9.831","0.0017","10.7521","0.0018","11.3029","0.0019","67.146","0.002","73.586","0.002","78.768","0.002","1051.2","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1,3-Bis(anthracen-9-yl)prop-2-en-1-one","","- C31 H20 O -","- C31 H20 O -","- C62 H40 O2 -","2","1","HB7739","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","(<i>E</i>)-1,3-Bis(anthracen-9-yl)prop-2-en-1-one: crystal structure and DFT study","Acta Crystallographica Section E","2018","74","4","492","496","10.1107/S2056989018003791","","","0.71073","MoKα","","0.1335","0.0572","","","0.1421","0.187","","","","","","1.004","","","","has coordinates,has Fobs","206890","2020-10-21","18:00:00",""
"2242419","6.056","0.002","7.363","0.003","36.761","0.012","90","","91.3","0.02","90","","1638.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-5-Benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C80 H64 Cl4 N4 O8 -","4","1","SU5426","Ghichi, Nadir; Bensouici, Chawki; Benboudiaf, Ali; DJebli, Yacine; Merazig, Hocine","Crystal structures and antioxidant capacity of (<i>E</i>)-5-benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol and (<i>E</i>)-5-benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate","Acta Crystallographica Section E","2018","74","4","478","482","10.1107/S2056989018003687","","","0.71073","MoKα","","0.0865","0.0531","","","0.1278","0.1525","","","","","","1.051","","","","has coordinates","206891","2020-10-21","18:00:00",""
"2242420","5.5265","0.0006","20.1714","0.0019","17.027","0.002","90","","97.216","0.005","90","","1883.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-Benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","SU5426","Ghichi, Nadir; Bensouici, Chawki; Benboudiaf, Ali; DJebli, Yacine; Merazig, Hocine","Crystal structures and antioxidant capacity of (<i>E</i>)-5-benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol and (<i>E</i>)-5-benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate","Acta Crystallographica Section E","2018","74","4","478","482","10.1107/S2056989018003687","","","0.71073","MoKα","","0.1077","0.047","","","0.1008","0.1243","","","","","","0.999","","","","has coordinates","206891","2020-10-21","18:00:00",""
"2242421","7.766","0.0007","13.6716","0.0013","6.8655","0.0007","90","","95.237","0.003","90","","725.89","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(hydrazinium) 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate)","","- C6 H10 N16 O4 -","- C6 H10 N16 O4 -","- C12 H20 N32 O8 -","2","0.5","PK2606","Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.","Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations","Acta Crystallographica Section E","2018","74","4","505","513","10.1107/S205698901800364X","","","0.71073","MoKα","","0.0362","0.031","","","0.0769","0.081","","","","","","1.035","","","","has coordinates,has Fobs","206892","2020-10-21","18:00:00",""
"2242422","5.1011","0.0009","18.494","0.003","7.0044","0.0013","90","","92.624","0.002","90","","660.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(hydroxyammonium) 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate)","","- C6 H8 N14 O6 -","- C6 H8 N14 O6 -","- C12 H16 N28 O12 -","2","0.5","PK2606","Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.","Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations","Acta Crystallographica Section E","2018","74","4","505","513","10.1107/S205698901800364X","","","0.71073","MoKα","","0.0413","0.0338","","","0.0912","0.0962","","","","","","1.08","","","","has coordinates,has Fobs","206892","2020-10-21","18:00:00",""
"2242423","6.0946","0.0006","8.5197","0.0008","9.2814","0.0009","68.259","0.003","75.957","0.003","74.816","0.003","426.28","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Dimethylammonium 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate)","","- C10 H16 N14 O4 -","- C10 H16 N14 O4 -","- C10 H16 N14 O4 -","1","0.5","PK2606","Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.","Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations","Acta Crystallographica Section E","2018","74","4","505","513","10.1107/S205698901800364X","","","0.71073","MoKα","","0.038","0.0319","","","0.0803","0.0848","","","","","","1.044","","","","has coordinates,has Fobs","206892","2020-10-21","18:00:00",""
"2242424","24.783","0.002","12.7081","0.0011","6.8396","0.0006","90","","96.289","0.001","90","","2141.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(5-amino-1<i>H</i>-tetrazol-4-ium) 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate)","","- C8 H16 N22 O8 -","- C8 H16 N22 O8 -","- C32 H64 N88 O32 -","4","1","PK2606","Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.","Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations","Acta Crystallographica Section E","2018","74","4","505","513","10.1107/S205698901800364X","","","0.71073","MoKα","","0.0497","0.0356","","","0.103","0.1262","","","","","","1.139","","","","has coordinates,has Fobs","206892","2020-10-21","18:00:00",""
"2242425","7.9458","0.0004","5.5586","0.0002","20.6066","0.0009","90","","97.647","0.002","90","","902.05","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(aminoguanidinium) 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate)","","- C8 H14 N20 O4 -","- C8 H14 N20 O4 -","- C16 H28 N40 O8 -","2","0.5","PK2606","Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.","Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations","Acta Crystallographica Section E","2018","74","4","505","513","10.1107/S205698901800364X","","","0.71073","MoKα","","0.0506","0.0454","","","0.1284","0.1341","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","206892","2020-10-21","18:00:00",""
"2242426","10.3581","0.0001","13.4039","0.0001","26.1689","0.0002","90","","90","","90","","3633.26","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Naloxegol hydrogen oxalate","(5α,6α)-6-[(2,5,8,11,14,17,20-Heptaoxadocosan-22-yl)oxy]-3,14-dihydroxy-17-\ (prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium hydrogen oxalate","","- C36 H55 N O15 -","- C36 H55 N O15 -","- C144 H220 N4 O60 -","4","1","FY2125","Gelbrich, Thomas; Langes, Christoph; Stefinovic, Marijan; Griesser, Ulrich J.","Naloxegol hydrogen oxalate displaying an hydrogen-bonded layer structure","Acta Crystallographica Section E","2018","74","4","474","477","10.1107/S2056989018003675","","","1.54184","CuKα","","0.0484","0.0476","","","0.1251","0.1262","","","","","","1.034","","","","has coordinates,has Fobs","206893","2020-10-21","18:00:00",""
"2242427","9.6903","0.0013","15.668","0.002","17.985","0.002","86.43","0.005","74.848","0.004","88.97","0.005","2630.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Chlorido(5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane)(phenylethynyl)cobalt(III) chloride‒acetonitrile‒methanol (1/1/1)","","- C23 H40 Cl2 Co N5 O -","- C23 H40 Cl2 Co N5 O -","- C92 H160 Cl8 Co4 N20 O4 -","4","2","VM2209","Oxley, Benjamin M.; Mash, Brandon; Zeller, Matthias; Banziger, Susannah; Ren, Tong","Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide","Acta Crystallographica Section E","2018","74","4","522","529","10.1107/S2056989018003997","","","0.71073","MoKα","","0.1142","0.0867","","","0.2119","0.241","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","206944","2020-10-21","18:00:00",""
"2242428","12.0263","0.0007","12.3999","0.0005","21.9164","0.0014","90","","105.326","0.0014","90","","3152.1","0.3","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(5,12-Dimethyl-1,4,8,11-tetraazacyclotetradecane)bis(phenylethynyl)cobalt(III) trifluoromethanesulfonate‒dichloromethane (2/1)","","- C59 H78 Cl2 Co2 F6 N8 O6 S2 -","- C59 H78 Cl2 Co2 F6 N8 O6 S2 -","- C118 H156 Cl4 Co4 F12 N16 O12 S4 -","2","1","VM2209","Oxley, Benjamin M.; Mash, Brandon; Zeller, Matthias; Banziger, Susannah; Ren, Tong","Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide","Acta Crystallographica Section E","2018","74","4","522","529","10.1107/S2056989018003997","","","0.71073","MoKα","","0.0519","0.034","","","0.0721","0.0779","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","206944","2020-10-21","18:00:00",""
"2242429","18.684","0.002","6.5431","0.0005","13.6688","0.0014","90","","93.627","0.011","90","","1667.7","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Coumarin ester","2-Oxo-2<i>H</i>-chromen-7-yl 4-<i>tert</i>-butylbenzoate","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","SJ5549","Ouédraogo, Mohammad; Abou, Akoun; Djandé, Abdoulaye; Ouari, Olivier; Zoueu, T. Jérémie","2-Oxo-2<i>H</i>-chromen-7-yl 4-<i>tert</i>-butylbenzoate","Acta Crystallographica Section E","2018","74","4","530","534","10.1107/S2056989018004188","","","1.54184","CuKα","","0.0942","0.0569","","","0.161","0.2015","","","","","","1.009","","","","has coordinates,has Fobs","206982","2020-10-21","18:00:00",""
"2242430","14.9964","0.0004","15.107","0.0004","16.0026","0.0004","91.6815","0.0013","117.608","0.0011","99.1383","0.0012","3149.79","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","Tris[2,2,6,6-tetramethyl-8-(trimethylsilyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']bis(1,3-dithiol)-4-yl]methanol diethyl ether monosolvate","","- C46 H64 O S12 Si3 -","- C46 H64 O S12 Si3 -","- C92 H128 O2 S24 Si6 -","2","1","NK2246","Fleck, Nico; Schnakenburg, Gregor; Filippou, Alexander C.; Schiemann, Olav","Tris[2,2,6,6-tetramethyl-8-(trimethylsilyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']bis(1,3-dithiol)-4-yl]methanol diethyl ether monosolvate","Acta Crystallographica Section E","2018","74","4","539","542","10.1107/S2056989018004516","","","1.54178","CuKα","","0.072","0.0641","","","0.1726","0.1833","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","207092","2020-10-21","18:00:00",""
"2242431","11.431","0.004","6.918","0.002","13.469","0.004","90","","103.686","0.004","90","","1034.9","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cesium Bistriflimide","Poly[[μ~4~-bis[(trifluoromethyl)sulfonyl]imido]caesium(I)]","","- C2 Cs F6 N O4 S2 -","- C2 Cs F6 N O4 S2 -","- C8 Cs4 F24 N4 O16 S8 -","4","1","WM5433","Stritzinger, Jared T.; Droessler, Janelle E.; Scott, Brian L.; Goff, George S.","Cs[Tf~2~N]: a second polymorph with a layered structure","Acta Crystallographica Section E","2018","74","4","551","554","10.1107/S2056989018004401","","","0.71073","MoKα","","0.0317","0.0221","","","0.0527","0.0577","","","","","","0.992","","","","has coordinates,has Fobs","207093","2020-10-21","18:00:00",""
"2242432","6.0814","0.0001","21.5212","0.0004","14.8312","0.0003","90","","91.2496","0.0011","90","","1940.63","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-Bis(4-methylphenyl)benzo[<i>g</i>]quinoxaline","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","VM2210","Kim, Young-Inn; Yun, Seong-Jae; Kang, Sung Kwon","Crystal structure of 2,3-bis(4-methylphenyl)benzo[<i>g</i>]quinoxaline","Acta Crystallographica Section E","2018","74","4","548","550","10.1107/S2056989018004413","","","0.71073","MoKα","","0.1071","0.0488","","","0.1016","0.1238","","","","","","1.005","","","","has coordinates,has Fobs","207094","2020-10-21","18:00:00",""
"2242433","3.7856","0.0004","28.393","0.003","9.6324","0.0009","90","","93.824","0.003","90","","1033.03","0.18","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[2-(1,3-Thiazol-2-yl)diazen-1-yl]pyridine-2,6-diamine monohydrate","","- C8 H10 N6 O S -","- C8 H10 N6 O S -","- C32 H40 N24 O4 S4 -","4","1","WM5438","Chotima, Ratanon; Boonseng, Bussaba; Piyasaengthong, Akkharadet; Songsasen, Apisit; Chainok, Kittipong","Crystal structure of 3-[2-(1,3-thiazol-2-yl)diazen-1-yl]pyridine-2,6-diamine monohydrate","Acta Crystallographica Section E","2018","74","4","563","565","10.1107/S2056989018004693","","","0.71073","MoKα","","0.0822","0.0607","","","0.1127","0.1212","","","","","","1.172","","","","has coordinates,has Fobs","207156","2020-10-21","18:00:00",""
"2242434","16.5434","0.0003","6.79456","0.00011","18.139","0.0004","90","","110.865","0.002","90","","1905.21","0.07","150.15","","150.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","Gallic Acid Tris-Caffeine hexahydrate","","- C31 H48 N12 O17 -","- C31 H48 N12 O17 -","- C62 H96 N24 O34 -","2","1","LH5871","Vella-Zarb, L.; Baisch, U.","Crystal water as the molecular glue for obtaining different co-crystal ratios: the case of gallic acid tris-caffeine hexahydrate","Acta Crystallographica Section E","2018","74","4","559","562","10.1107/S2056989018004528","","","0.71073","MoKα","","0.0372","0.033","","","0.0812","0.0864","","","","","","1.043","","","","has coordinates,has Fobs","207157","2020-10-21","18:00:00",""
"2242435","6.618","0.0003","7.1197","0.0003","34.7351","0.0015","90","","90","","90","","1636.65","0.12","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(5<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-8-Methyl-7-[(5<i>R</i>)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatricyclo[8.3.0.0^5,9^]tridecan-13-one monohydrate","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","IS5494","Oishi, Takeshi; Yoritate, Makoto; Sato, Takaaki; Chida, Noritaka","Crystal structure of ({-})-(5<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-8-methyl-7-[(5<i>R</i>)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatricyclo[8.3.0.0^5,9^]tridecan-13-one monohydrate","Acta Crystallographica Section E","2018","74","4","555","558","10.1107/S2056989018004425","","","0.71073","MoKα","","0.0355","0.0332","","","0.0678","0.0694","","","","","","1","","","","has coordinates,has Fobs","207158","2020-10-21","18:00:00",""
"2242436","21.2458","0.0015","10.232","0.0008","14.8428","0.0011","90","","118.808","0.004","90","","2827.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","lamotrigine ethanolate","","","- C11 H13 Cl2 N5 O -","- C11 H13 Cl2 N5 O -","- C88 H104 Cl16 N40 O8 -","8","1","FY2126","Hall, Charlie L.; Potticary, Jason; Sparkes, Hazel A.; Pridmore, Natalie E.; Hall, Simon R.","Lamotrigine ethanol monosolvate","Acta Crystallographica Section E","2018","74","5","678","681","10.1107/S2056989018005819","","","0.71073","MoKα","","0.1041","0.0979","","","0.2318","0.234","","","","","","1.411","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2242437","8.3251","0.0007","17.4731","0.0011","11.0495","0.0009","90","","98.716","0.007","90","","1588.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(tri-2-pyridylamine)iron(II) bis(perchlorate)","","- C30 H24 Cl2 Fe N8 O8 -","- C30 H24 Cl1.998 Fe N8 O7.992 -","- C60 H48 Cl3.996 Fe2 N16 O15.984 -","2","0.5","SU5436","Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; El Ati, Rafika; Glidewell, Christopher","Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder","Acta Crystallographica Section E","2018","74","5","668","672","10.1107/S2056989018005601","","","0.71073","MoKα","","0.0918","0.0492","","","0.1","0.1142","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","207543","2020-10-21","18:00:00",""
"2242438","8.36","0.004","17.57","0.008","11.165","0.005","90","","99.542","0.005","90","","1617.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(tri-2-pyridylamine)nickel(II) bis(perchlorate)","","- C30 H24 Cl2 N8 Ni O8 -","- C30 H24 Cl2 N8 Ni O8 -","- C60 H48 Cl4 N16 Ni2 O16 -","2","0.5","SU5436","Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; El Ati, Rafika; Glidewell, Christopher","Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder","Acta Crystallographica Section E","2018","74","5","668","672","10.1107/S2056989018005601","","","0.71073","MoKα","","0.0737","0.0431","","","0.0986","0.1093","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","207543","2020-10-21","18:00:00",""
"2242439","7.712","0.002","6.7898","0.0018","14.348","0.004","90","","98.533","0.005","90","","743","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Dichloridobis(imidazo[1,2-<i>a</i>]pyridine-κ<i>N</i>^1^)cobalt(II)","","- C14 H12 Cl2 Co N4 -","- C14 H12 Cl2 Co N4 -","- C28 H24 Cl4 Co2 N8 -","2","0.5","XI2004","Seth, Saikat Kumar","Structural characterization and Hirshfeld surface analysis of a Co^II^ complex with imidazo[1,2-<i>a</i>]pyridine","Acta Crystallographica Section E","2018","74","5","600","606","10.1107/S2056989018003857","","","0.71073","MoKα","","0.0254","0.0241","","","0.0627","0.0637","","","","","","1.064","","","","has coordinates,has Fobs","207544","2020-10-21","18:00:00",""
"2242440","3.939","0.0009","10.781","0.004","9.944","0.004","90","","100.49","0.03","90","","415.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-Tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","SU5433","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.56087","AgKα","","0.1114","0.047","","","0.1329","0.2059","","","","","","1.019","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242441","3.939","0.0009","10.781","0.004","9.944","0.004","90","","100.49","0.03","90","","415.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.56087","AgKα","","0.0953","0.0369","","","0.0618","0.0726","","","","","","0.93","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242442","3.939","0.0009","10.781","0.004","9.944","0.004","90","","100.49","0.03","90","","415.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.56087","AgKα","","0.0947","0.0366","","","0.0609","0.0712","","","","","","0.914","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242443","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.1808","0.1012","","","0.2597","0.3465","","","","","","1.188","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242444","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.141","0.0711","","","0.1412","0.1688","","","","","","1.053","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242445","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.1325","0.0691","","","0.1307","0.1569","","","","","","1.046","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242446","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.1795","0.0968","","","0.2502","0.3453","","","","","","1.167","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242447","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.1434","0.0728","","","0.1485","0.1773","","","","","","1.041","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242448","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.1351","0.071","","","0.1385","0.1668","","","","","","1.028","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242449","13.2129","0.001","11.1224","0.0008","25.1604","0.0019","90","","90","","90","","3697.6","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(Anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one","","- C27 H18 O -","- C27 H18 O -","- C216 H144 O8 -","8","1","RZ5230","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","5","650","655","10.1107/S2056989018005467","","","0.71073","MoKα","","0.0512","0.0431","","","0.1059","0.114","","","","","","1.038","","","","has coordinates,has Fobs","207546","2020-10-21","18:00:00",""
"2242450","17.118","0.005","12.31","0.004","11.152","0.003","90","","107.929","0.005","90","","2235.9","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(Anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one","","- C33 H20 O -","- C33 H20 O -","- C132 H80 O4 -","4","1","","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","5","650","655","10.1107/S2056989018005467","","","0.71073","MoKα","","0.0833","0.0455","","","0.1044","0.1368","","","","","","1.087","","","","has coordinates,has Fobs","207546","2020-10-21","18:00:00",""
"2242451","6.808","0.0004","24.8217","0.0018","14.4744","0.0009","90","","100.489","0.006","90","","2405.1","0.3","100.2","0.4","100.2","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Difluorido{2-[(4-hydroxyphenyl)diazenyl-κ<i>N</i>^2^]-3,5-dimethylpyrrolido-\ κ<i>N</i>}boron","","- C12 H12 B F2 N3 O -","- C12 H12 B F2 N3 O -","- C96 H96 B8 F16 N24 O8 -","8","2","EX2007","Feng, Huixiao; Yin, Zhenming","Crystal structure of difluorido{2-[(4-hydroxyphenyl)diazenyl]-3,5-dimethylpyrrolido}boron","Acta Crystallographica Section E","2018","74","5","743","746","10.1107/S2056989018006229","","","0.71073","MoKα","","0.0653","0.0475","","","0.1055","0.1161","","","","","","1.058","","","","has coordinates,has Fobs","207547","2020-10-21","18:00:00",""
"2242452","7.2341","0.0002","9.3852","0.0002","9.7971","0.0002","95.82","0.001","91.116","0.001","105.682","0.001","636.33","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyridin-2-yl)acetamide","","- C11 H12 N6 O S -","- C11 H12 N6 O S -","- C22 H24 N12 O2 S2 -","2","1","SU5430","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan","Crystal structures and Hirshfeld surface analyses of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyridin-2-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2018","74","5","718","723","10.1107/S2056989018005704","","","0.71073","MoKα","","0.043","0.034","","","0.0888","0.0944","","","","","","1.053","","","","has coordinates,has Fobs","207548","2020-10-21","18:00:00",""
"2242453","12.1333","0.0005","8.1561","0.0003","12.8442","0.0005","90","","94.307","0.003","90","","1267.48","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyrazin-2-yl)acetamide","","- C10 H11 N7 O S -","- C10 H11 N7 O S -","- C40 H44 N28 O4 S4 -","4","1","SU5430","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan","Crystal structures and Hirshfeld surface analyses of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyridin-2-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2018","74","5","718","723","10.1107/S2056989018005704","","","0.71073","MoKα","","0.1718","0.0539","","","0.0923","0.1262","","","","","","0.943","","","","has coordinates,has Fobs","207548","2020-10-21","18:00:00",""
"2242454","10.1148","0.0008","11.2236","0.0008","14.579","0.001","90","","120.94","0.005","90","","1419.57","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-4-methoxy-6-methylpyrimidinium 4-chlorobenzoate","","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C52 H56 Cl4 N12 O12 -","4","1","ZS2399","Jeevaraj, Muthaiah; Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Thanigaimani, Kaliyaperumal; Balasubramani, Kasthuri","Crystal structure, hydrogen bonding and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 4-chlorobenzoate","Acta Crystallographica Section E","2018","74","5","656","659","10.1107/S2056989018005583","","","0.71073","MoKα","","0.0801","0.0466","","","0.1283","0.1516","","","","","","0.994","","","","has coordinates,has Fobs","207549","2020-10-21","18:00:00",""
"2242455","7.5308","0.0004","10.9167","0.0007","12.4438","0.0008","66.058","0.006","79.034","0.005","72.156","0.005","887.47","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[2-(Propan-2-ylidene)hydrazinyl]-1,3-benzothiazol-3-ium 3-nitrobenzenesulfonate","","- C16 H16 N4 O5 S2 -","- C16 H16 N4 O5 S2 -","- C32 H32 N8 O10 S4 -","2","1","SJ5555","Morscher, Alexandra; de Souza, Marcus V. N.; Wardell, James L.; Harrison, William T. A.","Expected and unexpected products of reactions of 2-hydrazinylbenzothiazole with 3-nitrobenzenesulfonyl chloride in different solvents","Acta Crystallographica Section E","2018","74","5","673","677","10.1107/S2056989018005595","","","0.71075","MoKα","","0.0706","0.0663","","","0.1792","0.184","","","","","","1.113","","","","has coordinates,has Fobs","207550","2020-10-21","18:00:00",""
"2242456","6.83537","0.00015","13.5788","0.0003","15.6907","0.0004","99.382","0.002","98.2324","0.0019","91.9841","0.0019","1419.55","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[2-(3-Nitrobenzenesulfonyl)hydrazinyl]-1,3-benzothiazole","","- C13 H10 N4 O4 S2 -","- C13 H10 N4 O4 S2 -","- C52 H40 N16 O16 S8 -","4","2","SJ5555","Morscher, Alexandra; de Souza, Marcus V. N.; Wardell, James L.; Harrison, William T. A.","Expected and unexpected products of reactions of 2-hydrazinylbenzothiazole with 3-nitrobenzenesulfonyl chloride in different solvents","Acta Crystallographica Section E","2018","74","5","673","677","10.1107/S2056989018005595","","","0.71073","MoKα","","0.0298","0.0273","","","0.0708","0.0722","","","","","","1.036","","","","has coordinates,has Fobs","207550","2020-10-21","18:00:00",""
"2242457","10.0399","0.0005","10.7585","0.0004","11.3372","0.0006","85.607","0.004","71.369","0.005","77.115","0.004","1131.17","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[2-(3-Nitrobenzenesulfonyl)hydrazinyl]-1,3-benzothiazol-3-ium; 3-nitrobenzenesulfonate","","- C19 H15 N5 O9 S3 -","- C19 H15 N5 O9 S3 -","- C38 H30 N10 O18 S6 -","2","1","SJ5555","Morscher, Alexandra; de Souza, Marcus V. N.; Wardell, James L.; Harrison, William T. A.","Expected and unexpected products of reactions of 2-hydrazinylbenzothiazole with 3-nitrobenzenesulfonyl chloride in different solvents","Acta Crystallographica Section E","2018","74","5","673","677","10.1107/S2056989018005595","","","0.71073","MoKα","","0.0312","0.0294","","","0.0745","0.0758","","","","","","1.019","","","","has coordinates,has Fobs","207550","2020-10-21","18:00:00",""
"2242458","7.4103","0.0002","10.4681","0.0003","12.8121","0.0003","90","","102.235","0.001","90","","971.28","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4b<i>S</i>,8a<i>R</i>)-1-Isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate","","- C22 H28 O3 -","- C22 H28 O3 -","- C44 H56 O6 -","2","1","XU5922","Laamari, Yassine; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Auhmani, Aziz; Ketatni, El Mostafa","Crystal structure of (4b<i>S</i>,8a<i>R</i>)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate","Acta Crystallographica Section E","2018","74","5","728","730","10.1107/S2056989018005510","","","1.54178","CuKα","","0.0302","0.0298","","","0.0761","0.0765","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","207551","2020-10-21","18:00:00",""
"2242459","10.2293","0.0004","10.9623","0.0004","11.3087","0.0004","108.557","0.001","96.7616","0.001","110.409","0.001","1088.76","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","6,6'-[(1<i>E</i>,1'<i>E</i>)-Oxybis(4,1-phenylene)bis(azanylylidene)bis(methanylylidene)]bis(2-methylphenol)","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C56 H48 N4 O6 -","2","1","JJ2197","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Razali, Mohd. R.","6,6'-[(1<i>E</i>,1'<i>E</i>)-Oxybis(4,1-phenylene)bis(azanylylidene)bis(methanylylidene)]bis(2-methylphenol): supramolecular assemblies in two dimensions mediated by weak C—H···N, C—H···O and C—H···π interactions","Acta Crystallographica Section E","2018","74","5","687","690","10.1107/S2056989018005959","","","0.71073","MoKα","","0.0545","0.0446","","","0.1202","0.1311","","","","","","1.027","","","","has coordinates,has Fobs","207552","2020-10-21","18:00:00",""
"2242460","13.8129","0.0003","12.6034","0.0002","8.3595","0.0002","90","","90.396","0.001","90","","1455.27","0.05","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2,2-Trifluoroacetophenone","","- C8 H5 F3 O -","- C8 H5 F3 O -","- C64 H40 F24 O8 -","8","1","XI2002","Dey, Dhananjay; Sirohiwal, Abhishek; Chopra, Deepak","Crystal packing analysis of <i>in situ</i> cryocrystallized 2,2,2-trifluoroacetophenone","Acta Crystallographica Section E","2018","74","5","607","612","10.1107/S2056989017016590","","","0.71073","MoKα","","0.027","0.024","","","0.0614","0.0644","","","","","","1.077","","","","has coordinates,has Fobs","207553","2020-10-21","18:00:00",""
"2242461","4.0181","0.0002","5.7296","0.0003","27.5566","0.0014","90","","91.66","0.004","90","","634.14","0.06","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","coumarin","2-Oxo-2<i>H</i>-chromen-7-yl 4-fluorobenzoate","","- C16 H9 F O4 -","- C16 H9 F O4 -","- C32 H18 F2 O8 -","2","1","KQ2021","Abou, Akoun; Yoda, Jules; Djandé, Abdoulaye; Coussan, Stéphane; Zoueu, T. Jérémie","Crystal structure of 2-oxo-2<i>H</i>-chromen-7-yl 4-fluorobenzoate","Acta Crystallographica Section E","2018","74","5","761","765","10.1107/S205698901800614X","","","1.54184","CuKα","","0.0364","0.0353","","","0.0974","0.0983","","","","","","1.127","","","","has coordinates,has Fobs","207554","2020-10-21","18:00:00",""
"2242462","5.81006","0.00013","22.7138","0.0005","8.38031","0.00018","90","","91.785","0.002","90","","1105.4","0.04","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1,2-Diferrocenyl-1,2-bis(furan-2-yl)ethene","","- C30 H24 Fe2 O2 -","- C30 H24 Fe2 O2 -","- C60 H48 Fe4 O4 -","2","0.5","SJ5552","Linden, Anthony; Hamera-Fałdyga, Róża; Mlostoń, Grzegorz; Heimgartner, Heinz","Crystal structure of (<i>E</i>)-1,2-diferrocenyl-1,2-bis(furan-2-yl)ethene","Acta Crystallographica Section E","2018","74","5","625","629","10.1107/S2056989018005078","","","0.71073","MoKα","","0.0405","0.032","","","0.0721","0.0766","","","","","","1.042","","","","has coordinates,has Fobs","207555","2020-10-21","18:00:00",""
"2242463","10.525","0.003","18.187","0.005","12.459","0.004","90","","105.928","0.013","90","","2293.3","1.2","100","","99.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Bromido[2-(2,2'-bipyridin-6-yl)benzoic acid-κ^2^<i>N</i>,<i>N</i>']tricarbonylmanganese(I) tetrahydrofuran monosolvate","","- C20 H12 Br Mn N2 O5 -","- C20 H12 Br Mn N2 O5 -","- C80 H48 Br4 Mn4 N8 O20 -","4","1","","Lense, Sheri; Guzei, Ilia A.; Andersen, Jessica; Thao, Kong Choua","Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety","Acta Crystallographica Section E","2018","74","5","731","736","10.1107/S2056989018006047","","","0.71073","MoKα","","0.061","0.0411","","","0.0957","0.1036","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","207556","2020-10-21","18:00:00",""
"2242464","15.462","0.004","11.37","0.003","13.37","0.003","90","","98.023","0.01","90","","2327.5","1","100","","99.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-[2-(2,2'-Bipyridin-6-yl)benzoic acid-κ^2^<i>N</i>,<i>N</i>']tricarbonylchloridorhenium(I) tetrahydrofuran monosolvate","","- C24 H20 Cl N2 O6 Re -","- C24 H20 Cl N2 O6 Re -","- C96 H80 Cl4 N8 O24 Re4 -","4","1","","Lense, Sheri; Guzei, Ilia A.; Andersen, Jessica; Thao, Kong Choua","Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety","Acta Crystallographica Section E","2018","74","5","731","736","10.1107/S2056989018006047","","","0.71073","MoKα","","0.0179","0.0161","","","0.0388","0.0393","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","207556","2020-10-21","18:00:00",""
"2242465","8.3604","0.0001","11.41","0.0002","12.4661","0.0002","83.001","0.001","83.364","0.001","73.973","0.001","1130.24","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","Octane-1,8-diaminium 4,4'-(diazene-1,2-diyl)dibenzoate monohydrate","","- C22 H32 N4 O5 -","- C22 H32 N4 O5 -","- C44 H64 N8 O10 -","2","1","HB7747","Elkin, Igor; Maris, Thierry; Christopherson, Jan-Constantin; Borchers, Tristan H.; Barrett, Christopher J.","Crystal structure of octane-1,8-diaminium 4,4'-(diazene-1,2-diyl)dibenzoate monohydrate","Acta Crystallographica Section E","2018","74","5","724","727","10.1107/S2056989018006187","","","1.54184","CuKα","","0.0376","0.0368","","","0.0951","0.0959","","","","","","1.048","","","","has coordinates,has Fobs","207557","2020-10-21","18:00:00",""
"2242466","42.287","0.009","7.2848","0.0015","6.7006","0.0013","90","","91.226","0.012","90","","2063.7","0.7","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","4-(9-Methyloxycarbonylnonyloxy)phenylphenol","Methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","SU5401","Geiger, David K.; Geiger, H. Cristina; Morell, Dominic L.","An exploration of O—H···O and C—H···π interactions in a long-chain-ester-substituted phenylphenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate","Acta Crystallographica Section E","2018","74","5","594","599","10.1107/S2056989017016589","","","0.71073","MoKa","","0.062","0.0441","","","0.1093","0.1216","","","","","","1.045","","","","has coordinates,has Fobs","207558","2020-10-21","18:00:00",""
"2242467","6.7722","0.0004","11.5017","0.0008","16.6305","0.0011","80.224","0.003","84.618","0.003","81.077","0.003","1258.09","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4'-(2-Chlorophenyl)-1'-methyl-3''-phenyl-7'',8''-dihydro-5''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-isoquinoline]-2,5''-dione","","- C32 H26 Cl N3 O2 -","- C32 H26 Cl N3 O2 -","- C64 H52 Cl2 N6 O4 -","2","1","SU5434","Vishnupriya, R.; Selva Meenatchi, C.; Suresh, J.; Sumesh, R. V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure and Hirshfeld surface analysis of 4'-(2-chlorophenyl)-1'-methyl-3''-phenyl-7'',8''-dihydro-5''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-isoquinoline]-2,5''-dione","Acta Crystallographica Section E","2018","74","5","660","663","10.1107/S2056989018005455","","","0.71073","MoKα","","0.0666","0.0473","","","0.1197","0.1333","","","","","","1.05","","","","has coordinates,has Fobs","207559","2020-10-21","18:00:00",""
"2242468","17.964","0.003","8.0234","0.0015","9.7761","0.0019","90","","90","","90","","1409.1","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one","","- C15 H13 Cl O2 S -","- C15 H13 Cl O2 S -","- C60 H52 Cl4 O8 S4 -","4","1","HB7746","Caracelli, Ignez; Zukerman-Schpector, Julio; Traesel, Henrique J.; Olivato, Paulo R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","5","703","708","10.1107/S2056989018006072","","","0.71073","MoKα","","0.0722","0.0481","","","0.1058","0.1164","","","","","","1.04","","","","has coordinates,has Fobs","207560","2020-10-21","18:00:00",""
"2242469","9.4094","0.0005","9.4697","0.0005","15.1613","0.0009","90","","102.247","0.003","90","","1320.19","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(RS)-alpha-methylbenzylammonium isonicotinate","(<i>RS</i>)-1-Phenylethan-1-aminium pyridine-4-carboxylate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0755","0.0561","","","0.1492","0.1708","","","","","","1.047","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242470","12.4146","0.0004","5.9101","0.0002","27.3645","0.0009","90","","90.793","0.001","90","","2007.58","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(RS)-alpha-methylbenzylammonium flurbiprofenate","(<i>RS</i>)-1-Phenylethan-1-aminium 2-(3-fluoro-4-phenylphenyl)propanoate","","- C23 H24 F N O2 -","- C23 H24 F N O2 -","- C92 H96 F4 N4 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0747","0.0607","","","0.1635","0.1744","","","","","","1.066","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242471","15.5817","0.0007","6.3914","0.0003","31.3238","0.0014","90","","100.998","0.002","90","","3062.2","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(RS)-alpha-methylbenzylammonium 2-chloro-4-nitro-benzoate","(<i>RS</i>)-1-Phenylethan-1-aminium 2-chloro-4-nitrobenzoate","","- C15 H15 Cl N2 O4 -","- C15 H15 Cl N2 O4 -","- C120 H120 Cl8 N16 O32 -","8","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0403","0.0345","","","0.088","0.0911","","","","","","1.04","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242472","9.7224","0.0005","6.0571","0.0003","24.8767","0.0012","90","","99.527","0.002","90","","1444.77","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(RS)-alpha-methylbenzylammonium 4-iodobenzoate","(<i>RS</i>)-1-Phenylethan-1-aminium 4-iodobenzoate","","- C15 H16 I N O2 -","- C15 H16 I N O2 -","- C60 H64 I4 N4 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0309","0.0255","","","0.0546","0.0568","","","","","","1.125","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242473","16.228","0.0015","6.4392","0.0005","15.5937","0.0015","90","","104.289","0.004","90","","1579.1","0.2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","(S)-1-cyclohexylethylammonium 2-chloro-4-nitrobenzoate","(<i>S</i>)-1-Cyclohexylethan-1-aminium 2-chloro-4-nitrobenzoate","","- C15 H21 Cl N2 O4 -","- C15 H21 Cl N2 O4 -","- C60 H84 Cl4 N8 O16 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0358","0.0315","","","0.0692","0.0714","","","","","","1.043","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242474","6.4391","0.0003","17.0023","0.0008","14.1588","0.0006","90","","102.241","0.002","90","","1514.86","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(1-Cyclohexenyl)ethylammonium 4-bromobenzoate","2-(Cyclohex-1-en-1-yl)ethan-1-aminium 4-bromobenzoate","","- C15 H19 Br N O2 -","- C15 H19 Br N O2 -","- C60 H76 Br4 N4 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0421","0.037","","","0.0938","0.0978","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","207561","2020-10-21","18:00:00",""
"2242475","6.279","0.0003","15.661","0.0009","15.88","0.0008","90","","90","","90","","1561.57","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-1-cyclohexylethylammonium 4-bromobenzoate","(<i>S</i>)-1-Cyclohexylethan-1-aminium 4-bromobenzoate'","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C60 H88 Br4 N4 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0832","0.0778","","","0.2051","0.2112","","","","","","1.078","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242476","18.1742","0.0003","4.7885","0.0001","16.0308","0.0003","90","","104.56","0.001","90","","1350.31","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-[2-(2,4,6-Tribromophenyl)diazenyl]tropolone","2-Hydroxy-5-[2-(2,4,6-tribromophenyl)diazen-1-yl]cyclohepta-2,4,6-trien-1-one","","- C13 H7 Br3 N2 O2 -","- C13 H7 Br3 N2 O2 -","- C52 H28 Br12 N8 O8 -","4","1","FY2127","Hill, Tania N.; Savig, Kelsey L.; Lemmerer, Andreas","Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone","Acta Crystallographica Section E","2018","74","5","709","712","10.1107/S2056989018006151","","","0.71073","MoKα","","","0.0225","","","","0.051","","","","","","1.015","","","","has coordinates,has Fobs","207562","2020-10-21","18:00:00",""
"2242477","12.8434","0.0004","20.0919","0.0006","19.3168","0.0006","90","","92.561","0.002","90","","4979.7","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetramethanollithium 5,11,17,23-tetra-<i>tert</i>-butyl-25,26,27-trihydroxy-28-oxidocalix[4]arene methanol monosolvate","","- C49 H75 Li O9 -","- C49 H75 Li O9 -","- C196 H300 Li4 O36 -","4","1","XI2008","Yamada, Manabu; Gandhi, Muniyappan Rajiv; Akimoto, Kazuhiko; Hamada, Fumio","Crystal structure of a supramolecular lithium complex of <i>p</i>-<i>tert</i>-butylcalix[4]arene","Acta Crystallographica Section E","2018","74","5","575","579","10.1107/S2056989018001834","","","1.54178","CuKα","","0.0771","0.0654","","","0.1909","0.2032","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","207563","2020-10-21","18:00:00",""
"2242478","15.13","0.002","15.7219","0.0019","7.1203","0.0012","90","","90.6","0.008","90","","1693.6","0.4","200","2","200.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,7-Bis(dimethylamino)-phenothiazin-5-ium chloride dihydrate","","- C16 H22 Cl N3 O2 S -","- C16 H22 Cl N3 O2 S -","- C64 H88 Cl4 N12 O8 S4 -","4","1","SU5412","Canossa, Stefano; Predieri, Giovanni; Graiff, Claudia","Hydrogen bonds and π‒π interactions in two new crystalline phases of methylene blue","Acta Crystallographica Section E","2018","74","5","587","593","10.1107/S2056989017017881","","","0.71073","MoKα","","0.107","0.0875","","","0.2378","0.2713","","","","","","1.082","","","","has coordinates,has Fobs","207564","2020-10-21","18:00:00",""
"2242479","7.867","0.01","14.101","0.01","15.027","0.01","90","","90.348","0.01","90","","1667","3","100","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,7-Bis(dimethylamino)phenothiazinium bisulfite","","- C16 H19 N3 O4 S2 -","- C16 H19 N3 O4 S2 -","- C64 H76 N12 O16 S8 -","4","1","SU5412","Canossa, Stefano; Predieri, Giovanni; Graiff, Claudia","Hydrogen bonds and π‒π interactions in two new crystalline phases of methylene blue","Acta Crystallographica Section E","2018","74","5","587","593","10.1107/S2056989017017881","","","0.7","Synchrotron","","0.0512","0.0411","","","0.1064","0.1122","","","","","","1.064","","","","has coordinates,has Fobs","207564","2020-10-21","18:00:00",""
"2242480","5.834","0.002","5.834","0.002","4.546","0.002","90","","90","","120","","134","0.09","100","2","100","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","K2ReF6","Dipotassium hexafluoridorhenate(IV)","","- F6 K2 Re -","- F6 K2 Re -","- F6 K2 Re -","1","0.0833333","WM5432","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic","Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited","Acta Crystallographica Section E","2018","74","5","646","649","10.1107/S2056989018005297","","","0.71073","MoKα","","0.0158","0.0158","","","0.0408","0.0408","","","","","","1.126","","","","has coordinates,has Fobs","207565","2020-10-21","18:00:00",""
"2242481","5.9926","0.0013","5.9926","0.0013","4.7177","0.001","90","","90","","120","","146.72","0.05","100","2","100","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Rb2ReF6","Dirubidium hexafluoridorhenate(IV)","","- F6 Rb2 Re -","- F6 Rb2 Re -","- F6 Rb2 Re -","1","0.0833333","WM5432","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic","Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited","Acta Crystallographica Section E","2018","74","5","646","649","10.1107/S2056989018005297","","","0.71073","MoKα","","0.0288","0.0273","","","0.0727","0.0738","","","","","","1.3","","","","has coordinates,has Fobs","207565","2020-10-21","18:00:00",""
"2242482","6.268","0.001","6.268","0.001","4.931","0.001","90","","90","","120","","167.77","0.05","100","2","100","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Cs2ReF6","Dicaesium hexafluoridorhenate(IV)","","- Cs2 F6 Re -","- Cs2 F6 Re -","- Cs2 F6 Re -","1","0.0833333","WM5432","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic","Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited","Acta Crystallographica Section E","2018","74","5","646","649","10.1107/S2056989018005297","","","0.71073","MoKα","","0.0132","0.0132","","","0.0358","0.0358","","","","","","1.249","","","","has coordinates,has Fobs","207565","2020-10-21","18:00:00",""
"2242483","9.2277","0.0002","10.6445","0.0003","14.639","0.002","105.169","0.002","94.806","0.002","113.255","0.002","1246.35","0.18","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","3,3-Diphenyl-2-[4-(pyren-1-yl)phenyl]acrylonitrile","","- C37 H23 N -","- C37 H23 N -","- C74 H46 N2 -","2","1","","Miao, Bao-Xi; Tang, Xin-Xue; Zhang, Li-Fang","Synthesis, crystal structure and aggregation-induced emission of a new pyrene-based compound, 3,3-diphenyl-2-[4-(pyren-1-yl)phenyl]acrylonitrile","Acta Crystallographica Section E","2018","74","5","638","641","10.1107/S2056989018005182","","","0.71073","MoKα","","0.0404","0.0351","","","0.1004","0.1042","","","","","","1.04","","","","has coordinates,has Fobs","207566","2020-10-21","18:00:00",""
"2242484","35.1343","0.0012","7.2564","0.0002","13.145","0.0005","90","","95.553","0.002","90","","3335.57","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C160 H144 N16 O16 -","8","1","SJ5553","Ghichi, Nadir; Benboudiaf, Ali; Bensouici, Chawki; DJebli, Yacine; Merazig, Hocine","(<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol and (<i>Z</i>)-3-benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2018","74","5","737","742","10.1107/S2056989018005662","","","0.71073","MoKα","","0.1267","0.0487","","","0.1028","0.1343","","","","","","1","","","","has coordinates,has Fobs","207567","2020-10-21","18:00:00",""
"2242485","5.959","0.0002","7.871","0.0003","17.9743","0.0006","98.381","0.002","93.817","0.002","90.294","0.002","832.11","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-Benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one","","- C20 H16 Cl N O3 -","- C20 H16 Cl N O3 -","- C40 H32 Cl2 N2 O6 -","2","1","SJ5553","Ghichi, Nadir; Benboudiaf, Ali; Bensouici, Chawki; DJebli, Yacine; Merazig, Hocine","(<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol and (<i>Z</i>)-3-benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2018","74","5","737","742","10.1107/S2056989018005662","","","0.71073","MoKα","","0.0524","0.042","","","0.1254","0.1333","","","","","","1.095","","","","has coordinates,has Fobs","207567","2020-10-21","18:00:00",""
"2242486","8.2086","0.0005","18.8899","0.0011","9.8999","0.0006","90","","99.5197","0.001","90","","1513.94","0.16","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","barium acesulafame monohydrate","Aquabis(μ~3~-6-methyl-2,2-dioxo-1,2λ^6^,3-oxathiazin-4-olato)barium(II)","","- C8 H10 Ba N2 O9 S2 -","- C8 H10 Ba N2 O9 S2 -","- C32 H40 Ba4 N8 O36 S8 -","4","1","","Nazarenko, Alexander Y.","Crystal structure of strontium and barium acesulafame (6-methyl-4-oxo-4<i>H</i>-1,2,3-oxathiazin-3-ide 2,2-dioxide)","Acta Crystallographica Section E","2018","74","5","698","702","10.1107/S2056989018006059","","","0.71073","MoKα","","0.0478","0.0323","","","0.0553","0.059","","","","","","1.094","","","","has coordinates,has Fobs","207568","2020-10-21","18:00:00",""
"2242487","7.9695","0.0003","18.5217","0.0008","9.731","0.0004","90","","99.651","0.001","90","","1416.05","0.1","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","strontium acesulafame monohydrate","Aquabis(μ~3~-6-methyl-2,2-dioxo-1,2λ^6^,3-oxathiazin-4-olato)strontium(II)","","- C8 H10 N2 O9 S2 Sr -","- C8 H10 N2 O9 S2 Sr -","- C32 H40 N8 O36 S8 Sr4 -","4","1","ZL2727","Nazarenko, Alexander Y.","Crystal structure of strontium and barium acesulafame (6-methyl-4-oxo-4<i>H</i>-1,2,3-oxathiazin-3-ide 2,2-dioxide)","Acta Crystallographica Section E","2018","74","5","698","702","10.1107/S2056989018006059","","","0.71073","MoKα","","0.0398","0.0274","","","0.0574","0.0619","","","","","","1.039","","","","has coordinates,has Fobs","207568","2020-10-21","18:00:00",""
"2242488","12.3477","0.0002","24.7472","0.0005","19.0123","0.0003","90","","91.7","0.001","90","","5807.05","0.18","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bis{[(diphenylphosphanyl)methyl]diphenylphosphanylidene}methane-\ κ^3^<i>P</i>,<i>C</i>,<i>P</i>')carbonylchloridohydridoiridium(III) chloride dichloromethane trisolvate","","- C55 H51 Cl8 Ir O P4 -","- C55 H51 Cl8 Ir O P4 -","- C220 H204 Cl32 Ir4 O4 P16 -","4","1","EB2007","Reitsamer, Christian; Schlapp-Hackl, Inge; Partl, Gabriel; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structure of an iridium(III) complex of the [C(dppm)~2~] PCP pincer ligand system and its conjugate CH acid form","Acta Crystallographica Section E","2018","74","5","620","624","10.1107/S2056989018004905","","","0.71073","MoKα","","0.0613","0.0429","","","0.0924","0.0981","","","","","","1.056","","","","has coordinates,has Fobs","207569","2020-10-21","18:00:00",""
"2242489","19.7138","0.0002","22.7327","0.0002","25.312","0.0003","90","","98.781","0.001","90","","11210.6","0.2","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bis{[(diphenylphosphanyl)methyl]diphenylphosphanylidene}methane(1+)-κ^3^<i>P</i>,<i>C</i>,<i>P</i>')carbonylchloridohydridoiridium(III) dichloride‒hydrochloric acid‒water (1/2/5.5)","","- C52 H59 Cl5 Ir O6.5 P4 -","- C52 H46 Cl5 Ir O6.5 P4 -","- C416 H368 Cl40 Ir8 O52 P32 -","8","2","EB2007","Reitsamer, Christian; Schlapp-Hackl, Inge; Partl, Gabriel; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structure of an iridium(III) complex of the [C(dppm)~2~] PCP pincer ligand system and its conjugate CH acid form","Acta Crystallographica Section E","2018","74","5","620","624","10.1107/S2056989018004905","","","0.71073","MoKα","","0.0489","0.0325","","","0.081","0.0877","","","","","","1.041","","","","has coordinates,has Fobs","207569","2020-10-21","18:00:00",""
"2242490","9.6757","0.0005","5.2885","0.0003","28.0136","0.0015","90","","98.3","0.003","90","","1418.44","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>S</i>)-2-Amino-3-methylpentanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C48 H104 N8 O16 -","8","4","LH5872","Curland, Sofia; Meirzadeh, Elena; Diskin-Posner, Yael","Crystal structure of a new polymorph of (2<i>S</i>,3<i>S</i>)-2-amino-3-methylpentanoic acid","Acta Crystallographica Section E","2018","74","6","776","779","10.1107/S2056989018006126","","","0.71073","MoKα","","0.0836","0.0774","","","0.2069","0.2107","","","","","","1.147","","","","has coordinates,has Fobs","207601","2020-10-21","18:00:00",""
"2242491","8.0535","0.0015","9.0457","0.0017","15.352","0.003","106.553","0.004","101.572","0.004","94.385","0.004","1039.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","","- C28 H25 N O -","- C28 H25 N O -","- C56 H50 N2 O2 -","2","1","LH5873","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Molecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives","Acta Crystallographica Section E","2018","74","6","780","785","10.1107/S2056989018006527","","","0.71073","MoKα","","0.1534","0.0682","","","0.1798","0.2455","","","","","","1.008","","","","has coordinates,has Fobs","207664","2020-10-21","18:00:00",""
"2242492","31.2875","0.0016","9.047","0.0004","18.3643","0.0008","90","","99.388","0.003","90","","5128.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(diphenylamino)phenyl]prop-2-en-1-one","","- C35 H25 N O -","- C35 H25 N O -","- C280 H200 N8 O8 -","8","1","","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Molecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives","Acta Crystallographica Section E","2018","74","6","780","785","10.1107/S2056989018006527","","","0.71073","MoKα","","0.1142","0.0565","","","0.1152","0.1437","","","","","","1.015","","","","has coordinates,has Fobs","207664","2020-10-21","18:00:00",""
"2242493","12.7788","0.0015","27.276","0.003","20.18","0.003","90","","95.591","0.002","90","","7000.4","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{[5-<i>tert</i>-butyl-1,3-bis(1-pentyl-1<i>H</i>-benzimidazol-2-yl)benzene]selenium} tetrakis(selenocyanato)mercury","","- C72 H82 Hg N12 Se6 -","- C72 H82 Hg N12 Se6 -","- C288 H328 Hg4 N48 Se24 -","4","0.5","ZL2726","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of an arylselenenium(II) cation, [C~34~H~41~N~4~Se^+^]~2~[Hg(SeCN)~4~]^2{-^}, based on a 5-<i>tert</i>-butyl-1,3-bis(1-pentyl-1<i>H</i>-benzimidazol-2-yl)benzene scaffold","Acta Crystallographica Section E","2018","74","6","786","790","10.1107/S2056989018006394","","","0.71073","MoKα","","0.0445","0.0398","","","0.0939","0.0972","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","207784","2020-10-21","18:00:00",""
"2242494","9.6922","0.0001","12.7459","0.0002","13.603","0.0002","103.301","0.001","102.938","0.001","91.771","0.001","1587.83","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Undecacarbonyl[(4-methylsulfanylphenyl)diphenylphosphane]triruthenium(0)","","- C30 H17 O11 P Ru3 S -","- C30 H17 O11 P Ru3 S -","- C60 H34 O22 P2 Ru6 S2 -","2","1","HB7749","bin Shawkataly, Omar; Abdelnasir, Hafiz Malik Hussien; Sirat, Siti Syaida; Jotani, Mukesh M.; Tiekink, Edward R. T.","Undecacarbonyl[(4-methylsulfanylphenyl)diphenylphosphane]triruthenium(0): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","6","791","795","10.1107/S2056989018006989","","","0.71073","MoKα","","0.0666","0.0411","","","0.0861","0.0974","","","","","","1.033","","","","has coordinates,has Fobs","207785","2020-10-21","18:00:00",""
"2242495","9.7528","0.0007","23.6871","0.0017","23.6871","0.0017","90","","100.541","0.002","90","","5379.7","0.7","100","0.5","100","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis[1,2-bis(diphenylphosphane)ethylene]dichloridoiron(III) tetrachloridoferrate(III) dichloromethane 0.59-solvate","","- C52.59 H45.18 Cl7.18 Fe2 P4 -","- C52.592 H45.184 Cl7.184 Fe2 P4 -","- C210.368 H180.736 Cl28.736 Fe8 P16 -","4","0.5","PJ2052","McNeil, Jr, Derek L.; Beckford, Daihlia J.; Kneebone, Jared L.; Carpenter, Stephanie H.; Brennessel, William W.; Neidig, Michael L.","Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands","Acta Crystallographica Section E","2018","74","6","803","807","10.1107/S2056989018006898","","","0.71073","MoKα","","0.0782","0.0482","","","0.1065","0.119","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","207786","2020-10-21","18:00:00",""
"2242496","9.8771","0.0007","12.6516","0.0008","12.8258","0.0008","81.058","0.001","83.05","0.001","68.335","0.001","1467.87","0.17","100","0.5","100","0.5","","","","","","","","5","P 1","P 1","1","","<i>trans</i>-Bis[1,2-bis(diphenylphosphane)benzene]dichloridoiron(III) tetrachloridoferrate(III) dichloromethane monosolvate","","- C61 H50 Cl8 Fe2 P4 -","- C61 H50 Cl8 Fe2 P4 -","- C61 H50 Cl8 Fe2 P4 -","1","1","PJ2052","McNeil, Jr, Derek L.; Beckford, Daihlia J.; Kneebone, Jared L.; Carpenter, Stephanie H.; Brennessel, William W.; Neidig, Michael L.","Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands","Acta Crystallographica Section E","2018","74","6","803","807","10.1107/S2056989018006898","","","0.71073","MoKα","","0.1465","0.0727","","","0.1419","0.1823","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","207786","2020-10-21","18:00:00",""
"2242497","9.3504","0.0003","13.6265","0.0004","22.879","0.0009","90","","90","","90","","2915.09","0.17","190","2","190","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","1","IS5495","Stikute, Agnese; Skestere, Karina; Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2018","74","6","796","798","10.1107/S2056989018006941","","","0.71073","MoKα","","0.1019","0.0586","","","0.1171","0.1305","","","","","","1.043","","","","has coordinates,has Fobs","207787","2020-10-21","18:00:00",""
"2242498","8.6299","0.0008","8.7781","0.0008","14.0726","0.0012","80.683","0.001","73.602","0.001","89.568","0.001","1008.38","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-pyridine-2,6-dicarboxylato-\ calcium(II)-μ-pyridine-2,6-dicarboxylato] dihydrate]","","- C14 H18 Ca Co N2 O14 -","- C14 H18 Ca Co N2 O14 -","- C28 H36 Ca2 Co2 N4 O28 -","2","1","XU5921","Lin, Jie-Shuang; Zhang, Bing-Guang","Crystal structure of a heterometallic coordination polymer: <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-pyridine-2,6-dicarboxylato-calcium(II)-μ-pyridine-2,6-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2018","74","6","808","811","10.1107/S2056989018007120","","","0.71073","MoKα","","0.0246","0.0229","","","0.0633","0.0643","","","","","","1.01","","","","has coordinates","207856","2020-10-21","18:00:00",""
"2242499","7.9906","0.0012","9.7081","0.0014","10.2704","0.0015","86.727","0.003","73.088","0.003","73.538","0.003","730.73","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","2,2'-Dithiodinicotinic acid hydrochloride monohydrate","3-Carboxy-2-[2-(3-carboxypyridin-2-yl)disulfan-1-yl)]pyridin-1-ium chloride monohydrate","","- C12 H11 Cl N2 O5 S2 -","- C12 H11 Cl N2 O5 S2 -","- C24 H22 Cl2 N4 O10 S4 -","2","1","YK2114","Chemey, Alexander T.; McGuire, Chad M.; Albrecht-Schmitt, Thomas E.","A rare positively charged nicotinic acid disulfide: 2,2'-dithiodinicotinic acid hydrochloride monohydrate","Acta Crystallographica Section E","2018","74","6","820","824","10.1107/S2056989018006916","","","0.71073","MoKα","","0.0412","0.0319","","","0.0712","0.0746","","","","","","1.064","","","","has coordinates,has Fobs","207857","2020-10-21","18:00:00",""
"2242500","7.8085","0.001","10.5171","0.0014","17.124","0.002","90","","102.711","0.002","90","","1371.8","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 3-(3-hydroxy-3-phenylprop-2-enoyl)benzoate","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","WM5445","Zharinova, Irina S.; Bilyalova, Alfiya A.; Bezzubov, Stanislav I.","Synthesis and crystal structure of methyl 3-(3-hydroxy-3-phenylprop-2-enoyl)benzoate","Acta Crystallographica Section E","2018","74","6","816","819","10.1107/S2056989018007259","","","0.71073","MoKα","","0.0448","0.0388","","","0.1078","0.1139","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","207860","2020-10-21","18:00:00",""
"2242501","9.2538","0.0006","6.0642","0.0004","17.1441","0.001","90","","91.475","0.002","90","","961.75","0.11","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","(‒)-(<i>R</i>,<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-5-{(4<i>S</i>,5<i>R</i>)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl}-<i>N</i>,<i>N</i>-dimethylpent-4-enamide","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","IS5496","Oishi, Takeshi; Ishii, Koki; Ishibashi, Mizuki; Sato, Takaaki; Chida, Noritaka","Crystal structure of (‒)-(<i>R</i>,<i>E</i>)-3-(1,3-benzodioxol-5-yl)-5-[(4<i>S</i>,5<i>R</i>)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl]-<i>N</i>,<i>N</i>-dimethylpent-4-enamide","Acta Crystallographica Section E","2018","74","6","825","828","10.1107/S2056989018007132","","","0.71073","MoKα","","0.0655","0.0458","","","0.0786","0.0989","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","207861","2020-10-21","18:00:00",""
"2242502","8.8257","0.0008","16.0776","0.0016","9.7437","0.0009","90","","116.383","0.003","90","","1238.6","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-3-(thiophen-3-yl-methyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C13 H11 N3 S2 -","- C13 H11 N3 S2 -","- C52 H44 N12 S8 -","4","1","ZP2029","Vu Quoc, Trung; Nguyen Ngoc, Linh; Do Ba, Dai; Pham Chien, Thang; Nguyen Huy, Hung; Van Meervelt, Luc","Crystal structure and Hirshfield surface analysis of 4-phenyl-3-(thiophen-3-yl-methyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2018","74","6","812","815","10.1107/S2056989018007193","","","0.71073","MoKα","","0.0419","0.0346","","","0.0931","0.0972","","","","","","1.063","","","","has coordinates,has Fobs","207862","2020-10-21","18:00:00",""
"2242503","16.5181","0.0008","5.5262","0.0003","33.2605","0.0016","90","","90","","90","","3036.1","0.3","173","2","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","meldonium sodium bromide heptahydrate","Poly[[tetra-μ-aqua-diaquabis[3-(1,1,1-trimethylhydrazin-1-ium-2-yl)\ propanoate]disodium] dibromide tetrahydrate]","","- C6 H24 Br N2 Na O7 -","- C6 H24 Br N2 Na O7 -","- C48 H192 Br8 N16 Na8 O56 -","8","2","ZL2729","Nazarenko, Alexander Y.","Crystal structures of binary compounds of meldonium 3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate with sodium bromide and sodium iodide","Acta Crystallographica Section E","2018","74","6","829","834","10.1107/S2056989018006977","","","0.71073","MoKα","","0.0416","0.0315","","","0.0729","0.0783","","","","","","1.025","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2242504","19.7455","0.0011","11.453","0.0007","10.9733","0.0007","90","","92.382","0.002","90","","2479.4","0.3","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","meldonium sodium iodide dihydrate","Poly[[di-μ-aqua-diaquabis[μ-3-(1,1,1-trimethylhydrazin-1-ium-2-yl)\ propanoate]disodium] diiodide]","","- C6 H18 I N2 Na O4 -","- C6 H18 I N2 Na O4 -","- C48 H144 I8 N16 Na8 O32 -","8","2","ZL2729","Nazarenko, Alexander Y.","Crystal structures of binary compounds of meldonium 3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate with sodium bromide and sodium iodide","Acta Crystallographica Section E","2018","74","6","829","834","10.1107/S2056989018006977","","","0.71073","MoKα","","0.033","0.0261","","","0.0528","0.0568","","","","","","1.174","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2242505","10.96","0.002","9.1348","0.0018","13.495","0.003","90","","108.29","0.03","90","","1282.8","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-(Disulfane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one)","","- C8 H6 O2 S4 Se2 -","- C8 H6 O2 S4 Se2 -","- C32 H24 O8 S16 Se8 -","4","1","WM5446","Trentin, Ivan; Schindler, Claudia; Schulzke, Carola","Crystal structures of 4,4'-(disulfane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one) and 4,4'-(diselanane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one)","Acta Crystallographica Section E","2018","74","6","840","845","10.1107/S2056989018007454","","","0.71073","MoKα","","0.0526","0.029","","","0.0513","0.0577","","","","","","0.972","","","","has coordinates,has Fobs","207905","2020-10-21","18:00:00",""
"2242506","10.845","0.002","9.0387","0.0018","13.37","0.003","90","","108.95","0.03","90","","1239.6","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-(Diselanane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one)","","- C8 H6 O2 S6 -","- C8 H6 O2 S6 -","- C32 H24 O8 S24 -","4","1","","Trentin, Ivan; Schindler, Claudia; Schulzke, Carola","Crystal structures of 4,4'-(disulfane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one) and 4,4'-(diselanane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one)","Acta Crystallographica Section E","2018","74","6","840","845","10.1107/S2056989018007454","","","0.71073","MoKα","","0.0407","0.0269","","","0.0597","0.0635","","","","","","1.034","","","","has coordinates,has Fobs","207905","2020-10-21","18:00:00",""
"2242507","21.8333","0.0002","21.8333","0.0002","8.67551","0.00017","90","","90","","90","","4135.55","0.1","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","2-[(β-Arabinopyranosyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile","","- C23 H20 N2 O4 S -","- C23 H20 N2 O4 S -","- C184 H160 N16 O32 S8 -","8","1","HB7743","Hammad, Sherif F.; Masoud, Doaa M.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of racemic 2-[(β-arabinopyranosyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2018","74","6","853","856","10.1107/S2056989018007284","","","1.54184","CuKα","","0.0336","0.0289","","","0.0697","0.0723","","","","","","1.039","","","","has coordinates,has Fobs","207963","2020-10-21","18:00:00",""
"2242508","13.3105","0.0002","14.3109","0.0003","19.8482","0.0003","68.949","0.001","74.426","0.001","70.256","0.001","3274.11","0.1","233","2","233","2","","","","","","","","8","P -1","-P 1","2","","(Cycloocta-1,5-diene)(1,1,3,3,5,5,7,7-octaphenyl-1,7-diphospha-3,5-diphosphoniaheptan-4-yl)iridium(I) bis(trifluoromethanesulfonate)‒ethyl acetate‒dichloromethane (1/1/1)","","- C66 H67 Cl2 F6 Ir O8 P4 S2 -","- C66 H65 Cl2 F6 Ir O8 P4 S2 -","- C132 H130 Cl4 F12 Ir2 O16 P8 S4 -","2","1","SU5440","Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand","Acta Crystallographica Section E","2018","74","6","846","852","10.1107/S2056989018007569","","","0.71073","MoKα","","0.0307","0.025","","","0.0529","0.0548","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","207964","2020-10-21","18:00:00",""
"2242509","18.7964","0.0004","13.7444","0.0002","18.8487","0.0004","90","","101.586","0.002","90","","4770.25","0.16","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloridohydrido(1,1,3,3,5,5,7,7-octaphenyl-1,5λ^5^,7-triphospha-3-phosphoniahept-4-en-4-yl)iridium(III) acetone monosolvate","","- C54 H51 Cl2 Ir O P4 -","- C54 H45 Cl2 Ir O P4 -","- C216 H180 Cl8 Ir4 O4 P16 -","4","1","SU5440","Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand","Acta Crystallographica Section E","2018","74","6","846","852","10.1107/S2056989018007569","","","0.71073","MoKα","","0.0807","0.0476","","","0.0838","0.0911","","","","","","1.037","","","","has coordinates,has Fobs","207964","2020-10-21","18:00:00",""
"2242510","12.6532","0.0008","21.8847","0.0012","19.9228","0.0012","90","","99.381","0.002","90","","5443.1","0.6","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridohydrido(1,1,3,3,5,5,7,7-octaphenyl-1,7-diphospha-3,5-diphosphoniaheptan-4-yl)iridium(III) chloride pentahydrate","","- C51 H56 Cl3 Ir O5 P4 -","- C51 H46 Cl3 Ir O5 P4 -","- C204 H184 Cl12 Ir4 O20 P16 -","4","1","SU5440","Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand","Acta Crystallographica Section E","2018","74","6","846","852","10.1107/S2056989018007569","","","0.71073","MoKα","","0.0371","0.0318","","","0.0922","0.0949","","","","","","1.089","","","","has coordinates,has Fobs","207964","2020-10-21","18:00:00",""
"2242511","12.5929","0.0002","23.2803","0.0004","19.7488","0.0004","90","","107.535","0.001","90","","5520.66","0.17","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Carbonylchloridohydrido(1,1,3,3,5,5,7,7-octaphenyl-1,5λ^5^,7-triphospha-3-phosphoniahept-4-en-4-yl)iridium(III) chloride‒methanol‒water (1/2/1)","","- C54 H56 Cl2 Ir O4 P4 -","- C54 H45 Cl2 Ir O4 P4 -","- C216 H180 Cl8 Ir4 O16 P16 -","4","1","SU5440","Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand","Acta Crystallographica Section E","2018","74","6","846","852","10.1107/S2056989018007569","","","0.71073","MoKα","","0.0551","0.0412","","","0.091","0.0945","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","207964","2020-10-21","18:00:00",""
"2242512","7.1597","0.0011","9.8762","0.0016","12.243","0.002","110.426","0.003","94.051","0.003","93.378","0.003","806","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-{5-[2-(2-Hydroxyphenyl)diazen-1-yl]-1-methylpyrrol-2-yl}phenol methanol monosolvate","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C36 H38 N6 O6 -","2","1","FF2153","Yang, Guiwen; Feng, Huixiao; Yin, Zhenming","Crystal structure of 2-{5-[2-(2-hydroxyphenyl)diazen-1-yl]-1-methylpyrrol-2-yl}phenol methanol monosolvate","Acta Crystallographica Section E","2018","74","6","871","873","10.1107/S2056989018007764","","","0.71073","MoKα","","0.0675","0.0447","","","0.0971","0.109","","","","","","1.027","","","","has coordinates,has Fobs","208076","2020-10-21","18:00:00",""
"2242513","10.0069","0.0005","10.1898","0.0007","32.0045","0.0014","90","","90","","90","","3263.4","0.3","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-<i>O</i>-Benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-\ <i>O</i>-triphenylmethyl-α-<i>D</i>-glucofuranose","1-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-Benzyloxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-5-yl]-2-(trityloxy)ethyl methanesulfonate","","- C36 H38 O8 S -","- C36 H38 O8 S -","- C144 H152 O32 S4 -","4","1","SU5437","Clarke, Zane; Barnes, Evan; Prichard, Kate L.; Mares, Laura J.; Clegg, Jack K.; McCluskey, Adam; Houston, Todd A.; Simone, Michela I.","The crystal structures of 3-<i>O</i>-benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-<i>O</i>-triphenylmethyl-α-<small>D</small>-glucofuranose and its azide displacement product","Acta Crystallographica Section E","2018","74","6","862","867","10.1107/S205698901800765X","","","1.54184","CuKα","","0.1368","0.0943","","","0.2666","0.3507","","","","","","1.201","","","","has coordinates,has Fobs","208077","2020-10-21","18:00:00",""
"2242514","10.0943","0.0001","10.9625","0.0001","27.5392","0.0002","90","","90","","90","","3047.45","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Azido-3-<i>O</i>-benzyl-5-deoxy-1,2-<i>O</i>-isopropylidene-6-<i>O</i>-triphenylmethyl-β-<i>L</i>-idofuranose","(3a<i>R</i>,5<i>S</i>,6<i>S</i>,6a<i>R</i>)-5-[1-Azido-2-(trityloxy)ethyl]-6-benzyloxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxole","","- C35 H35 N3 O5 -","- C35 H35 N3 O5 -","- C140 H140 N12 O20 -","4","1","SU5437","Clarke, Zane; Barnes, Evan; Prichard, Kate L.; Mares, Laura J.; Clegg, Jack K.; McCluskey, Adam; Houston, Todd A.; Simone, Michela I.","The crystal structures of 3-<i>O</i>-benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-<i>O</i>-triphenylmethyl-α-<small>D</small>-glucofuranose and its azide displacement product","Acta Crystallographica Section E","2018","74","6","862","867","10.1107/S205698901800765X","","","1.54178","CuKα","","0.0297","0.0293","","","0.0845","0.0852","","","","","","1.027","","","","has coordinates,has Fobs","208077","2020-10-21","18:00:00",""
"2242515","14.4535","0.0004","6.3387","0.0002","23.904","0.0008","90","","104.214","0.002","90","","2122.95","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium chlorodifluoroacetate","","- C19 H17 Cl F8 N2 O3 -","- C19 H17 Cl F8 N2 O3 -","- C76 H68 Cl4 F32 N8 O12 -","4","1","HB7752","Wardell, James L.; Wardell, Solange M. S. V.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Racemic mefloquinium chlorodifluoroacetate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","7","895","900","10.1107/S2056989018007703","","","0.71073","MoKα","","0.0846","0.0522","","","0.1247","0.1419","","","","","","1.039","","","","has coordinates,has Fobs","208131","2020-10-21","18:00:00",""
"2242516","7.6461","0.0008","9.8772","0.0009","11.2191","0.0012","72.571","0.005","88.496","0.006","86.144","0.006","806.54","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","6-(Phenylsulfonyl)-6H-thieno[3,2-c]carbazole","6-Phenylsulfonyl-6<i>H</i>-thieno[3,2-<i>c</i>]carbazole","","- C20 H13 N O2 S2 -","- C20 H13 N O2 S2 -","- C40 H26 N2 O4 S4 -","2","1","FY2128","Mohamooda Sumaya, U.; Sankar, E.; Arasambattu MohanaKrishnan, K.; Biruntha, K.; Usha, G.","Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6<i>H</i>-thieno[3,2-<i>c</i>]carbazole","Acta Crystallographica Section E","2018","74","7","878","883","10.1107/S2056989018007971","","","0.71073","MoKα","","0.0486","0.034","","","0.0797","0.0908","","","","","","1.031","","","","has coordinates,has Fobs","208132","2020-10-21","18:00:00",""
"2242517","14.38617","0.00009","9.00514","0.00005","17.22745","0.00012","90","","112.617","0.0007","90","","2060.17","0.02","108.3","0.2","108.3","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Tris(3,5-dimethylphenyl)phosphine","Tris(3,5-dimethylphenyl)phosphane","","- C24 H27 P -","- C24 H27 P -","- C96 H108 P4 -","4","1","HB7751","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0359","0.0355","","","0.099","0.0993","","","","","","1.054","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242518","14.65624","0.00011","8.9796","0.00005","17.2794","0.00013","90","","114.205","0.0009","90","","2074.16","0.03","108.4","0.3","108.4","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tris(3,5-dimethylphenyl)phosphine oxide","Tris(3,5-dimethylphenyl)(oxo)-λ^5^-phosphane","","- C24 H27 O P -","- C24 H27 O P -","- C96 H108 O4 P4 -","4","1","","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0376","0.0368","","","0.1018","0.1024","","","","","","1.088","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242519","12.3031","0.0006","10.2629","0.0005","37.856","0.002","90","","90","","90","","4779.9","0.4","108.8","0.4","108.8","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","Tris(4-methoxy-3,5-dimethylphenyl)phosphine","Tris(4-methoxy-3,5-dimethylphenyl)phosphane","","- C27 H33 O3 P -","- C27 H33 O3 P -","- C216 H264 O24 P8 -","8","1","","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0864","0.0731","","","0.189","0.198","","","","","","1.049","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242520","11.28601","0.00011","11.90008","0.00011","36.3801","0.0003","90","","90","","90","","4886.01","0.08","108.3","0.4","108.3","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","Tris(4-methoxy-3,5-dimethylphenyl)phosphine oxide","Tris(4-methoxy-3,5-dimethylphenyl(oxo)-λ^5^-phosphane","","- C27 H33 O4 P -","- C27 H33 O4 P -","- C216 H264 O32 P8 -","8","1","","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0424","0.0386","","","0.0979","0.1003","","","","","","1.052","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242521","4.8637","0.0003","14.6601","0.001","16.6512","0.0009","90","","90","","90","","1187.27","0.13","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-[3-(2-Hydroxybenzylideneamino)phenyl]ethanone","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","XU5925","Moussa Slimane, Nabila; Bouhidel, Zakaria; Cherouana, Aouatef","A new crystal form and antimicrobial activity of (<i>E</i>)-1-[3-(2-hydroxybenzylideneamino)phenyl]ethanone","Acta Crystallographica Section E","2018","74","7","884","888","10.1107/S205698901800806X","","","1.54184","CuKα","","0.0539","0.046","","","0.1148","0.1309","","","","","","1.069","","","","has coordinates,has Fobs","208134","2020-10-21","18:00:00",""
"2242522","25.531","0.006","4.8522","0.001","20.861","0.004","90","","107.81","0.03","90","","2460.4","1","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Ethyl-3-(2-oxo-1,3-dithiol-4-yl)quinoxalin-2(1<i>H</i>)-one","","- C13 H10 N2 O2 S2 -","- C13 H10 N2 O2 S2 -","- C104 H80 N16 O16 S16 -","8","1","KQ2022","Chrysochos, Nicolas; Schulzke, Carola","Crystal structure of 1-ethyl-3-(2-oxo-1,3-dithiol-4-yl)quinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","7","901","904","10.1107/S2056989018007892","","","0.71073","MoKα","","0.0585","0.043","","","0.1045","0.1132","","","","","","1.034","","","","has coordinates,has Fobs","208214","2020-10-21","18:00:00",""
"2242523","9.167","0.0009","10.4566","0.001","11.2499","0.0011","64.707","0.004","71.312","0.004","77.032","0.004","918.75","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","1-(2,4-Dimethylphenyl)-4-(4-methoxyphenyl)naphthalene","","- C25 H22 O -","- C25 H22 O -","- C50 H44 O2 -","2","1","","Mohamooda Sumaya, U.; KarunaKaran, J.; Biruntha, K.; MohanaKrishnan, A. K.; Usha, G.","Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene","Acta Crystallographica Section E","2018","74","7","939","943","10.1107/S2056989018008332","","","0.71073","MoKα","","0.1475","0.0566","","","0.1453","0.1931","","","","","","1.001","","","","has coordinates,has Fobs","208215","2020-10-21","18:00:00",""
"2242524","21.191","0.002","7.2352","0.0011","12.9569","0.0014","90","","103.92","0.011","90","","1928.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-4-(4-Hydroxybenzylidene)-3-methylisoxazol-5(4<i>H</i>)-one","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C88 H72 N8 O24 -","8","1","ZP2027","Zemamouche, Wissem; Laroun, Rima; Hamdouni, Noudjoud; Brihi, Ouarda; Boudjada, Ali; Debache, Abdelmadjid","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-(4-hydroxybenzylidene)-3-methylisoxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2018","74","7","926","930","10.1107/S2056989018007867","","","0.71073","MoKα","","0.0543","0.0395","","","0.105","0.1133","","","","","","1.039","","","","has coordinates,has Fobs","208216","2020-10-21","18:00:00",""
"2242525","6.8156","0.0007","16.1449","0.0015","9.587","0.0009","90","","92.727","0.002","90","","1053.73","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sodium Tiron H2O","Disodium 4,5-dihydroxybenzene-1,3-disulfonate","","- C6 H6 Na2 O9 S2 -","- C6 H6 Na2 O9 S2 -","- C24 H24 Na8 O36 S8 -","4","1","ZL2730","Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.","Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates","Acta Crystallographica Section E","2018","74","7","918","925","10.1107/S2056989018008009","","","0.71073","MoKα","","0.0248","0.0232","","","0.0693","0.0705","","","","","","1.077","","","","has coordinates,has Fobs","208217","2020-10-21","18:00:00",""
"2242526","6.5023","0.0015","18.779","0.004","20.236","0.004","90","","90","","90","","2471","0.9","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","NH4 Tiron","Diammonium 4,5-dihydroxybenzene-1,3-disulfonate monohydrate","","- C6 H14 N2 O9 S2 -","- C6 H14 N2 O9 S2 -","- C48 H112 N16 O72 S16 -","8","1","ZL2730","Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.","Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates","Acta Crystallographica Section E","2018","74","7","918","925","10.1107/S2056989018008009","","","0.71073","MoKα","","0.1106","0.0545","","","0.1064","0.1271","","","","","","1.011","","","","has coordinates,has Fobs","208217","2020-10-21","18:00:00",""
"2242527","9.5847","0.0018","7.4498","0.0015","17.599","0.004","90","","102.997","0.004","90","","1224.4","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-4,5-Dihydroxybenzene-1,3-disulfonato-bis[aqualithium(I)] hemihydrate","","- C12 H18 Li4 O21 S4 -","- C12 H18 Li4 O21 S4 -","- C24 H36 Li8 O42 S8 -","2","0.5","ZL2730","Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.","Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates","Acta Crystallographica Section E","2018","74","7","918","925","10.1107/S2056989018008009","","","0.71073","MoKα","","0.054","0.0405","","","0.0941","0.1003","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","208217","2020-10-21","18:00:00",""
"2242528","8.4601","0.0002","10.9425","0.0003","13.5321","0.0004","78.188","0.002","88.644","0.002","75.442","0.002","1186.32","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate","","- C20 H26 Cl3 N2 O6 P -","- C20 H26 Cl3 N2 O6 P -","- C40 H52 Cl6 N4 O12 P2 -","2","1","LH5875","Brovarets, V. S.; Golovchenko, O. V.; Rusanov, E. B.; Rusanova, J. A.","Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate","Acta Crystallographica Section E","2018","74","7","915","917","10.1107/S2056989018008277","","","0.71073","MoKα","","0.0609","0.0391","","","0.0837","0.09","","","","","","1.081","","","","has coordinates,has Fobs","208218","2020-10-21","18:00:00",""
"2242529","12.9877","0.001","14.8982","0.001","8.5593","0.0006","90","","91.806","0.002","90","","1655.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)<i>-N</i>'-[1-(4-Aminophenyl)ethylidene]-2-hydroxy-5-iodobenzohydrazide methanol monosolvate","","- C16 H18 I N3 O3 -","- C16 H18 I N3 O3 -","- C64 H72 I4 N12 O12 -","4","1","SJ5557","Nguyen Tien, Cong; Le Thi Thu, Huong; Nguyen Van, Thin; Vu Quoc, Trung; Vu Quoc, Manh; Pham Chien, Thang; Van Meervelt, Luc","Crystal structure of (<i>E</i>)<i>-N</i>'-[1-(4-aminophenyl)ethylidene]-2-hydroxy-5-iodobenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2018","74","7","910","914","10.1107/S2056989018008204","","","0.71073","MoKα","","0.0207","0.0169","","","0.0391","0.041","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","208219","2020-10-21","18:00:00",""
"2242530","14.1073","0.0003","16.0156","0.0003","13.7785","0.0003","90","","95.006","0.001","90","","3101.2","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Octyl-4-oxo-2,6-bis(3,4,5-trimethoxyphenyl)piperidinium chloride","","- C31 H46 Cl N O7 -","- C31 H46 Cl N O7 -","- C124 H184 Cl4 N4 O28 -","4","1","RZ5236","Siddiqui, Rubina; Iqbal, Urooj; Saify, Zafar Saeed; Akhter, Shammim; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis(3,4,5-trimethoxyphenyl)piperidinium chloride","Acta Crystallographica Section E","2018","74","7","931","934","10.1107/S2056989018008125","","","1.54178","CuKα","","0.0523","0.0379","","","0.0875","0.0939","","","","","","1.014","","","","has coordinates,has Fobs","208220","2020-10-21","18:00:00",""
"2242531","21.7056","0.0018","11.9074","0.0009","10.9562","0.0006","90","","119.084","0.005","90","","2474.7","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium trichloroacetate monohydrate","","- C6 H10 Cl3 N5 O3 -","- C6 H10 Cl3 N5 O3 -","- C48 H80 Cl24 N40 O24 -","8","1","ZS2400","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Jose Kavitha, Savaridasson","Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-methyl-1,3,5-triazin-1-ium trichloroacetate monohydrate","Acta Crystallographica Section E","2018","74","7","944","948","10.1107/S2056989018008307","","","0.71073","MoKα","","0.0628","0.0462","","","0.1436","0.1594","","","","","","1.008","","","","has coordinates,has Fobs","208301","2020-10-21","18:00:00",""
"2242532","9.59912","0.00006","9.59912","0.00006","7.09284","0.00006","90","","90","","120","","565.996","0.007","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","Dicalcium octacerium hexakis(silicate) dioxide","","- Ca2 Ce8 O26 Si6 -","- Ca2 Ce8 O26 Si6 -","- Ca2 Ce8 O26 Si6 -","1","0.0833333","","Massoni, Nicolas; Hegron, Ronan; Campayo, Lionel","Reinvestigation of the crystal structure of Ca~2~Ce~8~(SiO~4~)~6~O~2~ apatite by Rietveld refinement","Acta Crystallographica Section E","2018","74","7","955","959","10.1107/S2056989018008435","powder diffraction","","1.54176","CuKα~1~","","0.0458","0.0438","","0.0442","0.0438","","","","1.76","","","1.76","","","","has coordinates","208302","2020-10-21","18:00:00",""
"2242533","10.475","0.004","16.884","0.004","15.514","0.002","90","","90","","90","","2743.8","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[3-(Azaniumylmethyl)cyclohexyl]methanaminium dinitrate","","- C8 H20 N4 O6 -","- C8 H20 N4 O6 -","- C64 H160 N32 O48 -","8","1","XU5926","Chebbi, Hammouda; Mezrigui, Samia; Ben Jomaa, Meriam; Zid, Mohamed Faouzi","Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3-cyclohexanebis(methylammonium): [3-(azaniumylmethyl)cyclohexyl]methanaminium dinitrate","Acta Crystallographica Section E","2018","74","7","949","954","10.1107/S2056989018008381","","","0.71073","MoKα","","0.2211","0.0622","","","0.1211","0.1725","","","","","","0.975","","","","has coordinates,has Fobs","208303","2020-10-21","18:00:00",""
"2242534","14.2792","0.0018","9.8936","0.0013","11.4978","0.0013","90","","97.539","0.004","90","","1610.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(<i>tert</i>-Butylamino)-4-(<i>tert</i>-butylimino)naphthalen-1(4<i>H</i>)-one","","- C18 H24 N2 O -","- C18 H24 N2 O -","- C72 H96 N8 O4 -","4","1","RZ5237","Lamoureux, Guy; Alvarado-Rojas, Mónica; Pineda, Leslie W.","Crystal structure of (<i>E</i>)-2-(<i>tert</i>-butylamino)-4-(<i>tert</i>-butylimino)naphthalen-1(4<i>H</i>)-one","Acta Crystallographica Section E","2018","74","7","973","976","10.1107/S2056989018008514","","","0.71073","MoKα","","0.1828","0.0785","","","0.1149","0.1428","","","","","","1.013","","","","has coordinates,has Fobs","208413","2020-10-21","18:00:00",""
"2242535","8.7657","0.0006","27.285","0.002","14.6938","0.0013","90","","90","","90","","3514.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[4-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile monohydrate","","- C21 H14 N4 O2 -","- C21 H14 N4 O2 -","- C168 H112 N32 O16 -","8","1","QM2124","Sen, Pinar; Kansiz, Sevgi; Dege, Necmi; Iskenderov, Turganbay S.; Yildiz, S. Zeki","Crystal structure and Hirshfeld surface analysis of 4-[4-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile monohydrate","Acta Crystallographica Section E","2018","74","7","994","997","10.1107/S2056989018008745","","","0.71073","MoKα","","0.1052","0.0444","","","0.0891","0.1056","","","","","","0.906","","","","has coordinates,has Fobs","208531","2020-10-21","18:00:00",""
"2242536","8.2264","0.0014","12.956","0.002","13.173","0.002","90","","96.471","0.003","90","","1395","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1-ethyl-3-methylimidazolium) tetra-μ-acetato-bis[chloridocuprate(II)]","","- C20 H34 Cl2 Cu2 N4 O8 -","- C20 H34 Cl2 Cu2 N4 O8 -","- C40 H68 Cl4 Cu4 N8 O16 -","2","0.5","ZP2028","Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.","Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride","Acta Crystallographica Section E","2018","74","7","981","986","10.1107/S2056989018008538","","","0.71073","MoKα","","0.0762","0.0412","","","0.0837","0.0942","","","","","","1.017","","","","has coordinates,has Fobs","208532","2020-10-21","18:00:00",""
"2242537","8.438","0.004","16.315","0.007","15.131","0.007","90","","96.53","0.01","90","","2069.5","1.6","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1-ethyl-3-methylimidazolium [[tetra-μ-acetato-dicuprate(II)]-μ-chlorido] monohydrate]","","- C14 H25 Cl Cu2 N2 O9 -","- C14 H25 Cl Cu2 N2 O9 -","- C56 H100 Cl4 Cu8 N8 O36 -","4","1","ZP2028","Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.","Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride","Acta Crystallographica Section E","2018","74","7","981","986","10.1107/S2056989018008538","","","0.71073","MoKα","","0.1346","0.0818","","","0.2342","0.2654","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","208532","2020-10-21","18:00:00",""
"2242538","8.0542","0.0009","8.1633","0.0009","16.7195","0.0019","98.126","0.003","94.745","0.003","92.964","0.003","1082.3","0.2","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[1-ethyl-3-methylimidazolium [[tetra-μ-acetato-dicuprate(II)]-μ-acetato]]","","- C16 H26 Cu2 N2 O10 -","- C16 H26 Cu2 N2 O10 -","- C32 H52 Cu4 N4 O20 -","2","1","ZP2028","Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.","Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride","Acta Crystallographica Section E","2018","74","7","981","986","10.1107/S2056989018008538","","","0.71073","MoKα","","0.0369","0.0289","","","0.098","0.1067","","","","","","0.814","","","","has coordinates,has Fobs","208532","2020-10-21","18:00:00",""
"2242539","7.9526","0.0005","8.0951","0.0005","18.8886","0.0011","79.177","0.0016","78.95","0.0016","89.932","0.0015","1171.46","0.12","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-ethyl-3-methylimidazolium) tetra-μ-acetato-bis[aquacopper(II)] tetra-μ-acetato-bis[acetatocuprate(II)] dihydrate","","- C32 H60 Cu4 N4 O24 -","- C32 H60 Cu4 N4 O24 -","- C32 H60 Cu4 N4 O24 -","1","0.5","ZP2028","Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.","Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride","Acta Crystallographica Section E","2018","74","7","981","986","10.1107/S2056989018008538","","","0.71073","MoKα","","0.0525","0.0339","","","0.0866","0.1012","","","","","","1.418","","","","has coordinates,has Fobs","208532","2020-10-21","18:00:00",""
"2242540","11.0257","0.0005","14.0341","0.0006","17.4469","0.0007","113.411","0.001","94.083","0.001","96.681","0.001","2440.09","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","dibromo hydrido phosphido bis triphenyl phosphine diplatinum II","μ-Diphenylphosphido-μ-hydrido-bis[bromido(triphenylphosphane-κ<i>P</i>)platinum(II)] diethyl ether monosolvate","","- C52 H51 Br2 O P3 Pt2 -","- C52 H51 Br2 O P3 Pt2 -","- C104 H102 Br4 O2 P6 Pt4 -","2","1","XU5929","Ouis, Sakina; Rouag, Djamil Azzedine; Bendjeddou, Lamia; Bailly, Corinne","Crystal structure of homodinuclear platinum complex containing a metal‒metal bond bridged by hydride and phosphide ligands","Acta Crystallographica Section E","2018","74","7","977","980","10.1107/S205698901800868X","","","0.71073","MoKα","","0.0335","0.0229","","","0.0532","0.0571","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","208533","2020-10-21","18:00:00",""
"2242541","24.3079","0.0016","7.5677","0.0004","18.4555","0.0014","90","","110.024","0.008","90","","3189.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(2-Hydroxynaphthalen-1-yl)(3-methylphenyl)methyl]acetamide","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","XU5928","Boudebbous, Khawla; Zemamouche, Wissem; Debache, Abdelmadjid; Hamdouni, Noudjoud; Boudjada, Ali","Crystal structure and Hirshfeld surface analysis of <i>N</i>-[(2-hydroxynaphthalen-1-yl)(3-methylphenyl)methyl]acetamide","Acta Crystallographica Section E","2018","74","7","1002","1005","10.1107/S2056989018008423","","","0.7107","MoKα","","0.0931","0.0558","","","0.1396","0.1591","","","","","","1.026","","","","has coordinates,has Fobs","208582","2020-10-21","18:00:00",""
"2242542","4.493","0.002","4.493","0.002","2.9121","0.0013","90","","90","","90","","58.79","0.05","298","0.1","298","0.1","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Germanium titanium tetraoxide","","- Ge1.14 O4 Ti0.86 -","- Ge1.14 O4 Ti0.86 -","- Ge1.14 O4 Ti0.86 -","1","0.0625","WM5451","Stoyanov, Emil; Leinenweber, Kurt; Groy, Thomas L.; Malik, Abds-Sami","Ge~0.57~Ti~0.43~O~2~: a new high-pressure material with rutile-type crystal structure","Acta Crystallographica Section E","2018","74","7","1010","1012","10.1107/S2056989018008988","","","0.71073","MoKα","","0.0181","0.0178","","","0.0495","0.0496","","","","","","1.204","","","","has coordinates,has Fobs","208649","2020-10-21","18:00:00",""
"2242543","8.2123","0.0003","8.7728","0.0003","13.4788","0.0003","91.005","0.002","96.975","0.002","115.515","0.003","867.24","0.05","102.3","0.9","102.3","0.9","","","","","","","","4","P -1","-P 1","2","","Bis{tricarbonyl[η^5^-tetramethyl(phenethyl)cyclopentadienyl]molybdenum}(<i>Mo</i>—<i>Mo</i>)","","- C40 H42 Mo2 O6 -","- C40 H42 Mo2 O6 -","- C40 H42 Mo2 O6 -","1","0.5","PJ2053","Brown, Loren; Maron, Danny; Smith, Casey; Merola, Joseph","Crystal structure of the tetramethyl(phenethyl)cyclopentadienylmolybdenumtricarbonyl dimer","Acta Crystallographica Section E","2018","74","7","1017","1020","10.1107/S2056989018008885","","","0.71073","MoKα","","0.0336","0.028","","","0.0563","0.0582","","","","","","1.055","","","","has coordinates,has Fobs","208650","2020-10-21","18:00:00",""
"2242544","13.2798","0.0008","5.9792","0.0003","13.413","0.0009","90","","113.046","0.007","90","","980.03","0.11","200","2","200","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","2-[2-(Pyridin-3-yl)diazen-1-yl]aniline","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","WM5450","Peters, Morten K.; Näther, Christian; Herges, Rainer","Crystal structure of 2-[2-(pyridin-3-yl)diazen-1-yl]aniline","Acta Crystallographica Section E","2018","74","7","1013","1016","10.1107/S2056989018008605","","","0.71073","MoKα","","0.0483","0.0387","","","0.1078","0.1133","","","","","","1.039","","","","has coordinates,has Fobs","208651","2020-10-21","18:00:00",""
"2242545","18.084","0.002","7.3858","0.001","20.614","0.003","90","","104.725","0.005","90","","2662.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-({4,6-bis[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)oxy]-1,3,5-triazin-2-yl}oxy)-5,5-dimethylcyclohex-2-en-1-one","3,3',3''-[(1,3,5-Triazine-2,4,6-triyl)tris(oxy)]tris(5,5-dimethylcyclohex-2-en-1-one)","","- C27 H33 N3 O6 -","- C27 H33 N3 O6 -","- C108 H132 N12 O24 -","4","1","ZP2030","Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A.; Mammadova, Gunay Z.; Panahova, Humay M.","Crystal structure and Hirshfeld surface analysis of 3,3',3''-[(1,3,5-triazine-2,4,6-triyl)tris(oxy)]tris(5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2018","74","7","1035","1038","10.1107/S2056989018009003","","","0.71073","MoKα","","0.1156","0.0529","","","0.1247","0.1589","","","","","","1.013","","","","has coordinates,has Fobs","208716","2020-10-21","18:00:00",""
"2242546","7.059","0.0006","23.851","0.002","15.3622","0.0013","90","","93.337","0.003","90","","2582.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate","","- C23 H27 N5 O10 S -","- C23 H27 N5 O10 S -","- C92 H108 N20 O40 S4 -","4","1","QM2125","Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A.; Huseynov, Fatali E.; Hajiyeva, Sarvinaz F.","Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate","Acta Crystallographica Section E","2018","74","7","1021","1025","10.1107/S2056989018009118","","","0.71073","MoKα","","0.0692","0.0426","","","0.0988","0.1123","","","","","","1.018","","","","has coordinates,has Fobs","208717","2020-10-21","18:00:00",""
"2242547","18.758","0.002","7.1508","0.0008","11.9909","0.0014","90","","98.2117","0.0017","90","","1591.9","0.3","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-(Adamantan-1-yl)-2-oxoethyl]pyridin-4-iminium bromide","","- C17 H23 Br N2 O -","- C17 H23 Br N2 O -","- C68 H92 Br4 N8 O4 -","4","1","RZ5239","Kwong, Huey Chong; Mahmud Pathi, Imdad; Chidan Kumar, C. S.; Quah, Ching Kheng; Arafath, Md. Azharul","Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-(adamantan-1-yl)-2-oxoethyl]pyridin-4-iminium bromide","Acta Crystallographica Section E","2018","74","7","1030","1034","10.1107/S2056989018009131","","","0.71073","MoKα","","0.0672","0.0353","","","0.0709","0.08","","","","","","1.008","","","","has coordinates,has Fobs","208718","2020-10-21","18:00:00",""
"2242548","6.293","0.0008","5.3712","0.0007","14.0916","0.0017","90","","92.885","0.002","90","","475.71","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid","(2<i>R</i>,3<i>R</i>)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic acid","","- C9 H12 O6 -","- C9 H12 O6 -","- C18 H24 O12 -","2","1","EB2009","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Vinogradov, Alexey A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","(2<i>R</i>,3<i>R</i>)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic and (2<i>R</i>,3<i>R</i>)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acids","Acta Crystallographica Section E","2018","74","8","1058","1062","10.1107/S2056989018009593","","","0.71073","MoKα","","0.0689","0.0429","","","0.0733","0.0825","","","","","","1.058","","","","has coordinates,has Fobs","208937","2020-10-21","18:00:00",""
"2242549","6.4272","0.0008","5.2976","0.0006","15.5678","0.0019","90","","94.469","0.002","90","","528.45","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid","(2<i>R</i>,3<i>R</i>)-1,4-Dioxaspiro[4.5]decane-2,3-dicarboxylic acid","","- C10 H14 O6 -","- C10 H14 O6 -","- C20 H28 O12 -","2","1","EB2009","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Vinogradov, Alexey A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","(2<i>R</i>,3<i>R</i>)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic and (2<i>R</i>,3<i>R</i>)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acids","Acta Crystallographica Section E","2018","74","8","1058","1062","10.1107/S2056989018009593","","","0.71073","MoKα","","0.0293","0.0276","","","0.0703","0.0717","","","","","","1.051","","","","has coordinates,has Fobs","208937","2020-10-21","18:00:00",""
"2242550","8.9212","0.0012","8.6601","0.0011","20.538","0.003","90","","96.896","0.003","90","","1575.3","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-(3-Bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H14 Br F O3 -","- C17 H14 Br F O3 -","- C68 H56 Br4 F4 O12 -","4","1","RZ5240","Sheshadri, S. N.; Atioğlu, Zeliha; Akkurt, Mehmet; Veeraiah, M. K.; Quah, Ching Kheng; Chidan Kumar, C. S.; Siddaraju, B. P.","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(3-bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","8","1063","1066","10.1107/S2056989018009416","","","0.71073","MoKα","","0.0703","0.0464","","","0.1343","0.1485","","","","","","1.051","","","","has coordinates,has Fobs","208938","2020-10-21","18:00:00",""
"2242551","7.782","0.005","8.185","0.005","8.811","0.005","96.785","0.005","113.856","0.005","109.14","0.005","464","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Diaqua[bis(2-(2-hydroxyethyl)pyridine-κ2N,O) nickel (II)] dinitrate","Diaquabis[2-(2-hydroxyethyl)pyridine-κ^2^<i>N</i>,<i>O</i>)nickel(II) dinitrate","","- C14 H22 N4 Ni O10 -","- C14 H22 N4 Ni O10 -","- C14 H22 N4 Ni O10 -","1","0.5","VN2135","Zeghouan, Ouahida; Dems, Mohamed AbdEsselem; Sellami, Seifeddine; Merazig, Hocine; Daran, Jean Claude","A strongly fluorescent Ni^II^ complex with 2-(2-hydroxyethyl)pyridine ligands: synthesis, characterization and theoretical analysis and comparison with a related polymeric Cu^II^ complex","Acta Crystallographica Section E","2018","74","8","1042","1048","10.1107/S2056989018009301","","","0.71073","MoKα","","0.0182","0.0182","","","0.0506","0.0506","","","","","","1.084","","","","has coordinates,has Fobs","208939","2020-10-21","18:00:00",""
"2242552","8.9333","0.0018","8.9998","0.0018","15.949","0.003","78.92","0.03","81.04","0.03","68.43","0.03","1165.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraaqua[<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide]sulfatomanganese(II) dihydrate","","- C17 H25 Mn N5 O12 S -","- C17 H25 Mn N5 O12 S -","- C34 H50 Mn2 N10 O24 S2 -","2","1","CQ2024","Guo, Yue-Xin; Ma, Hong-Cui; Bo, Ren; Zhao, Ning; Zhao, Li-Gang; Li, Jin-Peng; Hou, Hong-Wei","Two <i>N</i>,<i>N</i>'-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide coordination compounds","Acta Crystallographica Section E","2018","74","8","1049","1053","10.1107/S2056989018007351","","","0.71073","MoKα","","0.0467","0.0373","","","0.0851","0.0915","","","","","","1.065","","","","has coordinates,has Fobs","208941","2020-10-21","18:00:00",""
"2242553","14.706","0.003","10.157","0.002","27.293","0.006","90","","99.52","0.03","90","","4020.6","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)pyridine-2,6-\ dicarboxamide]cadmium(II) sulfate tetrahydrate","","- C34 H42 Cd N10 O16 S -","- C34 H42 Cd N10 O16 S -","- C136 H168 Cd4 N40 O64 S4 -","4","0.5","CQ2024","Guo, Yue-Xin; Ma, Hong-Cui; Bo, Ren; Zhao, Ning; Zhao, Li-Gang; Li, Jin-Peng; Hou, Hong-Wei","Two <i>N</i>,<i>N</i>'-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide coordination compounds","Acta Crystallographica Section E","2018","74","8","1049","1053","10.1107/S2056989018007351","","","0.71073","MoKα","","0.0557","0.0505","","","0.1243","0.1283","","","","","","1.138","","","","has coordinates,has Fobs","208941","2020-10-21","18:00:00",""
"2242554","7.1477","0.0002","11.0616","0.0003","13.346","0.0004","90","","104.929","0.003","90","","1019.58","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua(2-{[2-({2-[bis(carboxylato-κ<i>O</i>-methyl)amino-κ<i>N</i>]ethyl}(carboxylato-κ<i>O</i>-methyl)amino-κ<i>N</i>)ethyl](carboxymethyl)azaniumyl}acetato)gallium(III) trihydrate","","- C14 H28 Ga N3 O14 -","- C14 H28 Ga N3 O14 -","- C28 H56 Ga2 N6 O28 -","2","1","IS5497","Wallin, Martin; Turner, Peter; Katsifis, Andrew; Yang, Mingshi; Chan, Hak-Kim","Crystal structure of aqua(2-{[2-({2-[bis(carboxylato-κ<i>O</i>-methyl)amino-κ<i>N</i>]ethyl}(carboxylato-κ<i>O</i>-methyl)amino-κ<i>N</i>)ethyl](carboxymethyl)azaniumyl}acetato)gallium(III) trihydrate","Acta Crystallographica Section E","2018","74","8","1054","1057","10.1107/S2056989018009428","","","0.71073","MoKα","","0.0624","0.0435","","","0.067","0.0731","","","","","","1.05","","","","has coordinates,has Fobs","208942","2020-10-21","18:00:00",""
"2242555","11.3885","0.0008","11.7598","0.0007","15.6703","0.001","82.041","0.005","70.671","0.006","85.87","0.005","1960.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(Acetato-κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)[tris(pyridin-2-ylmethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']manganese(II) tetraphenylborate","","- C45 H45 B Mn N4 O3 -","- C45 H45 B Mn N4 O3 -","- C90 H90 B2 Mn2 N8 O6 -","2","1","TX2006","Frey, Steven T.; Ramirez, Hillary A.; Kaur, Manpreet; Jasinski, Jerry P.","Crystal structure of a seven-coordinate manganese(II) complex with tris(pyridin-2-ylmethyl)amine (TMPA)","Acta Crystallographica Section E","2018","74","8","1075","1078","10.1107/S2056989018009611","","","0.71073","MoKα","","0.0751","0.0472","","","0.1052","0.122","","","","","","1.028","","","","has coordinates,has Fobs","208965","2020-10-21","18:00:00",""
"2242556","5.2794","0.0004","8.8686","0.0006","11.5321","0.0009","90","","90","","90","","539.94","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Proline","(<i>S</i>)-Pyrrolidine-2-carboxylic acid","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","EB2008","Koenig, Jonas J.; Neudörfl, Jörg-M.; Hansen, Anne; Breugst, Martin","Redetermination of the solvent-free crystal structure of <small>L</small>-proline","Acta Crystallographica Section E","2018","74","8","1067","1070","10.1107/S2056989018009490","","","1.54178","CuKα","","0.0392","0.0356","","","0.0839","0.0855","","","","","","1.109","","","","has coordinates,has Fobs","208966","2020-10-21","18:00:00",""
"2242557","4.7565","0.0003","11.3377","0.0009","15.759","0.0013","70.415","0.004","87.23","0.004","85.238","0.004","797.73","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (<i>E</i>)-4-[(4-Hydroxy-3-methoxy-5-nitrobenzylidene)amino]benzoate","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C34 H32 N4 O12 -","2","1","SU5450","Victoria, Antony Samy; Sivajeyanthi, Palaniyappan; Elangovan, Natarajan; Balasubramani, Kasthuri; Kolochi, Thathan; Thanikasalam, Kanagasabapathy","Crystal structure and Hirshfeld surface analysis of ethyl (<i>E</i>)-4-[(4-hydroxy-3-methoxy-5-nitrobenzylidene)amino]benzoate","Acta Crystallographica Section E","2018","74","8","1079","1082","10.1107/S2056989018009465","","","0.71073","MoKα","","0.0969","0.0608","","","0.1491","0.1756","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","208967","2020-10-21","18:00:00",""
"2242558","7.6419","0.0007","11.8889","0.0013","14.8082","0.0016","90","","90","","90","","1345.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-Ethyl-<i>N</i>-(4-nitrobenzylidene)aniline","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","ZL2733","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","The crystal structure of (<i>E</i>)-2-ethyl-<i>N</i>-(4-nitrobenzylidene)aniline: three-dimensional supramolecular assembly mediated by C—H···O hydrogen bonds and nitro···π(arene) interactions","Acta Crystallographica Section E","2018","74","8","1071","1074","10.1107/S2056989018009544","","","0.71073","MoKα","","0.1081","0.0396","","","0.087","0.1199","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","208968","2020-10-21","18:00:00",""
"2242559","7.9416","0.0016","19.202","0.004","12.497","0.003","90","","99.663","0.003","90","","1878.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","YK2115","Zaytsev, Vladimir P.; Sorokina, Elena A.; Kvyatkovskaya, Elisaveta A.; Toze, Flavien A. A.; Mhaldar, Shashank N.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Three-component reaction between isatoic anhydride, amine and furan-2-ylmethylacrylaldehyde: crystal structures of 3-benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one, 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-(furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","8","1101","1106","10.1107/S2056989018009982","","","0.9699","synchrotron","","0.1355","0.0969","","","0.197","0.2184","","","","","","0.998","","","","has coordinates,has Fobs","209028","2020-10-21","18:00:00",""
"2242560","13.921","0.003","11.296","0.002","22.623","0.005","90","","90","","90","","3557.5","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C176 H160 N16 O16 -","8","1","YK2115","Zaytsev, Vladimir P.; Sorokina, Elena A.; Kvyatkovskaya, Elisaveta A.; Toze, Flavien A. A.; Mhaldar, Shashank N.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Three-component reaction between isatoic anhydride, amine and furan-2-ylmethylacrylaldehyde: crystal structures of 3-benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one, 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-(furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","8","1101","1106","10.1107/S2056989018009982","","","0.9699","synchrotron","","0.1135","0.0742","","","0.1609","0.1896","","","","","","1.045","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2242561","13.928","0.003","10.684","0.002","22.368","0.005","90","","90","","90","","3328.5","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","YK2115","Zaytsev, Vladimir P.; Sorokina, Elena A.; Kvyatkovskaya, Elisaveta A.; Toze, Flavien A. A.; Mhaldar, Shashank N.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Three-component reaction between isatoic anhydride, amine and furan-2-ylmethylacrylaldehyde: crystal structures of 3-benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one, 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-(furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","8","1101","1106","10.1107/S2056989018009982","","","0.9699","synchrotron","","0.1229","0.0888","","","0.1962","0.2238","","","","","","1.054","","","","has coordinates,has Fobs","209028","2020-10-21","18:00:00",""
"2242562","9.0554","0.0008","17.426","0.0015","12.9217","0.0009","90","","119.916","0.005","90","","1767.4","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-1-(Anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","JJ2199","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Molecular structure, DFT studies and UV‒Vis absorption of two new linear fused ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","8","1087","1092","10.1107/S205698901800974X","","","0.71073","MoKα","","0.0797","0.0538","","","0.1304","0.1458","","","","","","1.081","","","","has coordinates,has Fobs","209029","2020-10-21","18:00:00",""
"2242563","8.6646","0.0005","9.5752","0.0005","11.5636","0.0006","100.593","0.002","105.443","0.002","92.422","0.002","904.76","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","","- C24 H17 F O2 -","- C24 H17 F O2 -","- C48 H34 F2 O4 -","2","1","","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Molecular structure, DFT studies and UV‒Vis absorption of two new linear fused ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","8","1087","1092","10.1107/S205698901800974X","","","0.71073","MoKα","","0.0991","0.0593","","","0.1483","0.1827","","","","","","1.019","","","","has coordinates,has Fobs","209029","2020-10-21","18:00:00",""
"2242564","7.7483","0.0002","19.3451","0.0006","7.2338","0.0002","90","","90","","90","","1084.29","0.05","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","Dimethyl 5-iodoisophthalate","1,3-Dimethyl 1-iodocyclohexa-3,5-diene-1,3-dicarboxylate","","- C10 H9 I O4 -","- C10 H9 I O4 -","- C40 H36 I4 O16 -","4","1","ZL2732","Hauptvogel, Ines; Seichter, Wilhelm; Weber, Edwin","Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate","Acta Crystallographica Section E","2018","74","8","1093","1096","10.1107/S205698901800912X","","","0.71073","MoKα","","0.0164","0.0154","","","0.0375","0.0379","","","","","","1.054","","","","has coordinates,has Fobs","209030","2020-10-21","18:00:00",""
"2242565","10.1206","0.0005","6.6219","0.0004","16.3658","0.0008","90","","90","","90","","1096.8","0.1","223","2","223","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Dimethyl 5-ethynylisophthalate","1,3-Dimethyl 1-ethynylcyclohexa-3,5-diene-1,3-dicarboxylate","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","0.5","ZL2732","Hauptvogel, Ines; Seichter, Wilhelm; Weber, Edwin","Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate","Acta Crystallographica Section E","2018","74","8","1093","1096","10.1107/S205698901800912X","","","0.71073","MoKα","","0.0608","0.0385","","","0.0947","0.1096","","","","","","1.029","","","","has coordinates,has Fobs","209030","2020-10-21","18:00:00",""
"2242566","19.103","0.005","17.414","0.004","19.053","0.005","90","","90","","90","","6338","3","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenol]nickel(II) bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]nickel(II) bis(perchlorate) methanol monosolvate","","- C57 H54 Br4 Cl2 N8 Ni2 O13 -","- C57 H54 Br4 Cl2 N8 Ni2 O13 -","- C228 H216 Br16 Cl8 N32 Ni8 O52 -","4","0.5","LH5876","Okeke, Ugochukwu; Otchere, Raymond; Gultneh, Yilma; Butcher, Ray J.","The crystal structure of bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenol]nickel(II) bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]nickel(II) bis(perchlorate) methanol monosolvate, a structure containing strong inter-species hydrogen bonds","Acta Crystallographica Section E","2018","74","8","1121","1125","10.1107/S2056989018010277","","","0.71073","MoKα","","0.11","0.0607","","","0.1535","0.1783","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","209163","2020-10-21","18:00:00",""
"2242567","12.147","0.012","12.341","0.012","19.406","0.019","91.433","0.011","90.181","0.011","119.182","0.009","2539","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","1,2,3,4-(1,4-Dimethoxy)-5-(1-hydroxy-4-methoxy)-pillar[5]arene‒1-octanamine‒water (1/1/1)","10,15,19,25,27,28,31,33,34-Nonamethoxyhexacyclo[21.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}]pentatriaconta-1(25),3(35),4,6(34),8,10,13,15,18,20,23,26,28,30,32-pentadecaen-4-ol‒1-octanamine‒water (1/1/1)","","- C52 H69 N O11 -","- C52 H69 N O11 -","- C104 H138 N2 O22 -","2","1","DX2005","Al-Azemi, Talal F.; Vinodh, Mickey; Mohamod, Abdirahman A.; Alipour, Fatemeh H.","Single-crystal X-ray diffraction study of a host‒guest system comprising monofunctionalized-hydroxy pillar[5]arene and 1-octanamine","Acta Crystallographica Section E","2018","74","8","1117","1120","10.1107/S2056989018010034","","","0.71075","MoKα","","0.1987","0.0937","","","0.2706","0.3488","","","","","","0.954","","","","has coordinates,has Fobs","209164","2020-10-21","18:00:00",""
"2242568","5.0531","0.0002","11.4478","0.0005","13.2945","0.0005","90","","93.245","0.001","90","","767.81","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Benzamide","2-Iodobenzamide","","- C7 H6 I N O -","- C7 H6 I N O -","- C28 H24 I4 N4 O4 -","4","1","SJ5558","Bairagi, Keshab M.; Kumar, Vipin B. S.; Bhandary, Subhrajyoti; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis of 2-iodobenzamide and 2-iodo-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2018","74","8","1130","1133","10.1107/S2056989018010162","","","0.71073","MoKα","","0.0151","0.0144","","","0.0328","0.033","","","","","","1.157","","","","has coordinates,has Fobs","209165","2020-10-21","18:00:00",""
"2242569","5.1225","0.0002","10.4572","0.0004","12.2167","0.0005","66.034","0.002","78.882","0.002","85.76","0.002","586.76","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Benzamide","2-Iodo-<i>N</i>-phenylbenzamide","","- C13 H10 I N O -","- C13 H10 I N O -","- C26 H20 I2 N2 O2 -","2","1","SJ5558","Bairagi, Keshab M.; Kumar, Vipin B. S.; Bhandary, Subhrajyoti; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis of 2-iodobenzamide and 2-iodo-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2018","74","8","1130","1133","10.1107/S2056989018010162","","","0.71073","MoKα","","0.0172","0.0168","","","0.0421","0.0422","","","","","","1.076","","","","has coordinates,has Fobs","209165","2020-10-21","18:00:00",""
"2242570","7.5538","0.001","8.2591","0.0011","9.7145","0.0013","85.9415","0.0016","72.9167","0.0016","67.6989","0.0015","535.42","0.12","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Allyl-4-methylbenzenesulfonamide","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C20 H26 N2 O4 S2 -","2","1","WM5455","Patel, Zeel S.; Stevens, Amanda C.; Bookout, Erin C.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of <i>N</i>-allyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2018","74","8","1126","1129","10.1107/S2056989018010290","","","0.71073","MoKα","","0.0653","0.0532","","","0.1416","0.1556","","","","","","1.089","","","","has coordinates,has Fobs","209166","2020-10-21","18:00:00",""
"2242571","13.1124","0.0014","9.8498","0.0006","19.737","0.002","90","","106.892","0.008","90","","2439.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(3-<i>tert</i>-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine","","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","- C104 H144 N8 O8 -","4","1","XU5931","Sen, Pinar; Kansiz, Sevgi; Golenya, Irina A.; Dege, Necmi","Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-bis(3-<i>tert</i>-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine","Acta Crystallographica Section E","2018","74","8","1147","1150","10.1107/S2056989018009726","","","0.71073","MoKα","","0.1426","0.0439","","","0.079","0.099","","","","","","0.784","","","","has coordinates,has Fobs","209235","2020-10-21","18:00:00",""
"2242572","11.3597","0.0003","16.9611","0.0004","14.5514","0.0003","90","","95.622","0.002","90","","2790.18","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Acetonitrile)[2-methoxy-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)ethylamine]copper(II) bis(perchlorate)","","- C25 H26 Cl2 Cu N4 O9 -","- C25 H26 Cl2 Cu N4 O9 -","- C100 H104 Cl8 Cu4 N16 O36 -","4","1","TX2007","Frey, Steven T.; Li, Jason; Kaur, Manpreet; Jasinski, Jerry P.","Crystal structure of a mononuclear copper(II) complex with 2-methoxy-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)ethylamine (DQMEA)","Acta Crystallographica Section E","2018","74","8","1138","1141","10.1107/S2056989018010319","","","0.71073","MoKα","","0.085","0.0496","","","0.1189","0.1408","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","209236","2020-10-21","18:00:00",""
"2242573","15.6497","0.0019","15.6497","0.0019","15.6497","0.0019","90","","90","","90","","3832.8","0.8","173","2","173.15","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","2-Bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane","","- C9 H27 Br Si4 -","- C9 H27 Br Si4 -","- C72 H216 Br8 Si32 -","8","0.333333","","Gulotty, Eva M.; Staples, Richard J.; Biros, Shannon M.; Gaspar, Peter P.; Rath, Nigam P.; Winchester, William R.","Crystal structures of 2-bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane and 2-bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane","Acta Crystallographica Section E","2018","74","8","1142","1146","10.1107/S2056989018009696","","","0.71073","MoKα","","0.0405","0.0284","","","0.0683","0.0748","","","","","","1.05","","","","has coordinates,has Fobs","209237","2020-10-21","18:00:00",""
"2242574","8.4412","0.0004","11.1336","0.0006","18.8477","0.001","92.565","0.004","90.527","0.004","108.718","0.004","1675.44","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-Bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane","","- C27 H63 Br Si4 -","- C27 H63 Br Si4 -","- C54 H126 Br2 Si8 -","2","1","","Gulotty, Eva M.; Staples, Richard J.; Biros, Shannon M.; Gaspar, Peter P.; Rath, Nigam P.; Winchester, William R.","Crystal structures of 2-bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane and 2-bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane","Acta Crystallographica Section E","2018","74","8","1142","1146","10.1107/S2056989018009696","","","0.71073","MoKα","","0.0705","0.0371","","","0.0661","0.0751","","","","","","1.01","","","","has coordinates,has Fobs","209237","2020-10-21","18:00:00",""
"2242575","14.996","0.003","5.574","0.0011","20.607","0.004","90","","112.55","0.03","90","","1590.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Calcium(II) bis[2-(2-{[(benzyloxy)carbonyl]amino}acetamido)-2-methylpropanoate] monohydrate","","- C28 H38 Ca N4 O12 -","- C28 H38 Ca N4 O12 -","- C56 H76 Ca2 N8 O24 -","2","0.5","EX2009","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","Crystal structures of <i>Z</i>‒Gly‒Aib‒O^{-^}·0.5Ca^2+^·H~2~O and <i>Z</i>‒Gly‒Aib‒OH","Acta Crystallographica Section E","2018","74","8","1173","1177","10.1107/S2056989018010745","","","0.59038","synchrotron","","0.09","0.0776","","","0.2","0.214","","","","","","1.056","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2242576","9.526","0.0019","28.608","0.006","10.27","0.002","90","","90","","90","","2798.8","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-{[(Benzyloxy)carbonyl]amino}acetamido)-2-methylpropanoic acid","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C112 H144 N16 O40 -","8","1","EX2009","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","Crystal structures of <i>Z</i>‒Gly‒Aib‒O^{-^}·0.5Ca^2+^·H~2~O and <i>Z</i>‒Gly‒Aib‒OH","Acta Crystallographica Section E","2018","74","8","1173","1177","10.1107/S2056989018010745","","","1.54178","CuKα","","0.0419","0.0364","","","0.0869","0.0903","","","","","","1.094","","","","has coordinates,has Fobs","209275","2020-10-21","18:00:00",""
"2242577","11.8025","0.0002","12.9133","0.0002","6.8","0.0001","90","","110.759","0.001","90","","969.1","0.03","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disilver(I) dizinc(II) iron(III) tris(orthovanadate)","","- Ag2 Fe O12 V3 Zn2 -","- Ag2 Fe O12 V3 Zn2 -","- Ag8 Fe4 O48 V12 Zn8 -","4","0.5","WM5454","Lamsakhar, Nour El Houda; Zriouil, Mohammed; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of disilver(I) dizinc(II) iron(III) tris(orthovanadate) with an alluaudite-type structure","Acta Crystallographica Section E","2018","74","8","1155","1158","10.1107/S205698901801071X","","","0.71073","MoKα","","0.0244","0.0208","","","0.0468","0.0479","","","","","","1.127","","","","has coordinates,has Fobs","209276","2020-10-21","18:00:00",""
"2242578","11.2586","0.0008","6.8886","0.0005","23.0145","0.0016","90","","93.678","0.002","90","","1781.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[(2,3-Dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","","- C16 H14 Br Cl2 N3 S -","- C16 H14 Br Cl2 N3 S -","- C64 H56 Br4 Cl8 N12 S4 -","4","1","SJ5561","Akkurt, Mehmet; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Khalilov, Ali N.; Huseynova, Afat T.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(2,3-dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2018","74","8","1168","1172","10.1107/S2056989018010496","","","0.71073","MoKα","","0.1007","0.0507","","","0.1022","0.1231","","","","","","1.041","","","","has coordinates,has disorder","209277","2020-10-21","18:00:00",""
"2242579","15.3042","0.0003","20.0723","0.0004","19.4935","0.0004","90","","96.158","0.001","90","","5953.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV)","","- C20 H4 F24 Hf O8 -","- C20 H4 F24.007 Hf O8 -","- C160 H32 F192.056 Hf8 O64 -","8","2","SJ5560","Schwandt, W. Franklin; Woods, Toby J.; Girolami, Gregory S.","Crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV)","Acta Crystallographica Section E","2018","74","8","1182","1185","10.1107/S2056989018010514","","","0.71073","MoKα","","0.0404","0.0307","","","0.0688","0.0736","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","209336","2020-10-21","18:00:00",""
"2242580","8.5851","0.001","16.8986","0.0019","9.3455","0.0011","90","","92.465","0.004","90","","1354.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[5-(4-Methoxyphenyl)-2-methyl-2<i>H</i>-1,2,3-triazol-4-yl](thiophen-2-yl)methanone","","- C15 H13 N3 O2 S -","- C15 H13 N3 O2 S -","- C60 H52 N12 O8 S4 -","4","1","XI2009","Bhandary, Subhrajyoti; Girish, Yarabhally R.; Venugopala, Katharigatta N.; Chopra, Deepak","Crystal structure analysis of [5-(4-methoxyphenyl)-2-methyl-2<i>H</i>-1,2,3-triazol-4-yl](thiophen-2-yl)methanone","Acta Crystallographica Section E","2018","74","8","1178","1181","10.1107/S2056989018010654","","","0.71073","MoKα","","0.089","0.0533","","","0.1011","0.1143","","","","","","1.032","","","","has coordinates,has Fobs","209337","2020-10-21","18:00:00",""
"2242581","8.3262","0.0011","14.8369","0.0019","14.0764","0.0013","90","","106.558","0.014","90","","1666.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4-[(<i>E</i>)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-3-nitrobenzoate","","- C16 H14 Br N3 O5 -","- C16 H14 Br N3 O5 -","- C64 H56 Br4 N12 O20 -","4","1","DX2007","Malek, Tanvirbanu J.; Gandhi, Sahaj A.; Barot, Vijay; Patel, Mukesh; Patel, Urmila H.","Crystal structure and Hirshfeld surface analysis of methyl 4-[(<i>E</i>)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-3-nitrobenzoate","Acta Crystallographica Section E","2018","74","9","1239","1243","10.1107/S2056989018011325","","","0.71073","MoKα","","0.1859","0.0964","","","0.1572","0.2019","","","","","","1.088","","","","has coordinates,has Fobs","209707","2020-10-21","18:00:00",""
"2242582","5.6582","0.0011","8.4632","0.0016","12.046","0.002","97.209","0.002","91.123","0.002","93.949","0.002","570.69","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquazinc(II) dinitrate bis[5-(pyridinium-3-yl)tetrazol-1-ide]","","- C12 H22 N12 O12 Zn -","- C12 H22 N12 O12 Zn -","- C12 H22 N12 O12 Zn -","1","0.5","CQ2025","Chi-Duran, Ignacio; Enriquez, Javier; Vega, Andres; Herrera, Felipe; Pratap Singh, Dinesh","Hexaaquazinc(II) dinitrate bis[5-(pyridinium-3-yl)tetrazol-1-ide]","Acta Crystallographica Section E","2018","74","9","1231","1234","10.1107/S205698901801112X","","","0.71073","MoKα","","0.0227","0.0215","","","0.0535","0.0542","","","","","","1.084","","","","has coordinates,has Fobs","209708","2020-10-21","18:00:00",""
"2242583","11.8533","0.0005","6.8299","0.0003","14.7329","0.0006","90","","107.477","0.001","90","","1137.67","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Acetyl-5-methyl-1<i>H</i>-1,2,3-triazol-1-yl)benzonitrile","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","HB7764","Zukerman-Schpector, Julio; Dias, Cássio da S.; Schwab, Ricardo S.; Jotani, Mukesh M.; Tiekink, Edward R. T.","4-(4-Acetyl-5-methyl-1<i>H</i>-1,2,3-triazol-1-yl)benzonitrile: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","9","1195","1200","10.1107/S2056989018010885","","","0.71073","MoKα","","0.0485","0.0441","","","0.122","0.1264","","","","","","1.102","","","","has coordinates,has Fobs","209709","2020-10-21","18:00:00",""
"2242584","15.4081","0.0003","18.3762","0.0003","19.2154","0.0003","90","","90","","90","","5440.69","0.16","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","(Carbonyl-1κ<i>C</i>)(1η^5^-pentamethylcyclopentadienyl)(μ-2,3,9,10-tetramethyl-1,4,8,11-tetrathiaundeca-2,9-diene-1,11-diido-1κ^2^<i>S</i>,<i>S</i>''':2κ^4^<i>S</i>,<i>S</i>',<i>S</i>'',<i>S</i>''')ironnickel(<i>Fe</i>—<i>Ni</i>) hexafluorophosphate","","- C22 H33 F6 Fe Ni O P S4 -","- C22 H33 F6 Fe Ni O P S4 -","- C176 H264 F48 Fe8 Ni8 O8 P8 S32 -","8","1","ZL2735","Harrison, Daniel J.; Lough, Alan J.; Fekl, Ulrich","A new structural model for NiFe hydrogenases: an unsaturated analogue of a classic hydrogenase model leads to more enzyme-like Ni—Fe distance and interplanar fold","Acta Crystallographica Section E","2018","74","9","1222","1226","10.1107/S2056989018010939","","","0.71073","MoKα","","0.1025","0.052","","","0.122","0.148","","","","","","1.07","","","","has coordinates,has Fobs","209710","2020-10-21","18:00:00",""
"2242585","3.9867","0.0003","13.4564","0.0011","25.573","0.002","90","","90","","90","","1371.91","0.19","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-3-(2,4-Dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H6 Cl4 O S -","- C13 H6 Cl4 O S -","- C52 H24 Cl16 O4 S4 -","4","1","DX2006","Murthy, T. N. Sanjeeva; Atioğlu, Zeliha; Akkurt, Mehmet; Chidan Kumar, C. S.; Veeraiah, M. K.; Quah, Ching Kheng; Siddaraju, B. P.","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(2,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","9","1201","1205","10.1107/S2056989018010976","","","0.71073","MoKα","","0.0503","0.0375","","","0.095","0.1024","","","","","","1.03","","","","has coordinates,has Fobs","209712","2020-10-21","18:00:00",""
"2242586","15.838","0.005","7.675","0.002","19.485","0.006","90","","99.335","0.004","90","","2337.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tricarbonyl-(1,3,6-triphenylfulvene) chromium (0)","Tricarbonyl(1,3,6-triphenylfulvene)chromium(0) benzene hemisolvate","","- C30 H21 Cr O3 -","- C30 H21 Cr O3 -","- C120 H84 Cr4 O12 -","4","1","RZ5242","Peloquin, Andrew J.; Smith, Madelyn B.; O'Connell, Bryce J.; Ghiassi, Kamran B.; Balaich, Gary J.; Iacono, Scott T.","Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-arylfulvenes","Acta Crystallographica Section E","2018","74","9","1190","1194","10.1107/S2056989018010794","","","0.71073","MoKα","","0.1175","0.0566","","","0.1111","0.1411","","","","","","1.031","","","","has coordinates,has Fobs","209713","2020-10-21","18:00:00",""
"2242587","15.624","0.004","8.149","0.002","17.396","0.004","90","","90.706","0.003","90","","2214.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tricarbonyl-(1,3-diphenyl-6-(3-vinylphenyl)fulvene) chromium (0)","Tricarbonyl[1,3-diphenyl-6-(3-vinylphenyl)fulvene]chromium(0)","","- C29 H20 Cr O3 -","- C29 H20 Cr O3 -","- C116 H80 Cr4 O12 -","4","1","RZ5242","Peloquin, Andrew J.; Smith, Madelyn B.; O'Connell, Bryce J.; Ghiassi, Kamran B.; Balaich, Gary J.; Iacono, Scott T.","Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-arylfulvenes","Acta Crystallographica Section E","2018","74","9","1190","1194","10.1107/S2056989018010794","","","0.71073","MoKα","","0.0612","0.0423","","","0.0971","0.1089","","","","","","1.078","","","","has coordinates,has Fobs","209713","2020-10-21","18:00:00",""
"2242588","8.6342","0.0012","9.407","0.0013","17.379","0.003","82.988","0.002","86.34","0.002","70.992","0.002","1324.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tricarbonyl-(1,3-diphenyl-6-pyrenylfulvene) chromium (0)","Tricarbonyl[1,3-diphenyl-6-(pyren-1-yl)fulvene]chromium(0)","","- C37 H22 Cr O3 -","- C37 H22 Cr O3 -","- C74 H44 Cr2 O6 -","2","1","RZ5242","Peloquin, Andrew J.; Smith, Madelyn B.; O'Connell, Bryce J.; Ghiassi, Kamran B.; Balaich, Gary J.; Iacono, Scott T.","Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-arylfulvenes","Acta Crystallographica Section E","2018","74","9","1190","1194","10.1107/S2056989018010794","","","0.71073","MoKα","","0.042","0.0362","","","0.0932","0.0984","","","","","","1.054","","","","has coordinates,has Fobs","209713","2020-10-21","18:00:00",""
"2242589","7.7292","0.001","7.9892","0.0009","11.2035","0.0013","108.3","0.007","92.553","0.007","101.499","0.008","639.36","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","Tebipenem","(2,2-Dimethylpropanoyloxy)methyl (4<i>R</i>,5<i>S</i>,6<i>S</i>)-3-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-\ 3-yl]sulfanyl}-6-[(1<i>R</i>)-1-hydroxyethyl]-4-methyl-7-oxo-1-\ azabicyclo[3.2.0]hept-2-ene-2-carboxylate","","- C22 H31 N3 O6 S2 -","- C22 H31 N3 O6 S2 -","- C22 H31 N3 O6 S2 -","1","1","EX2010","Tang, Chao; Cai, Li; Liu, Shuai; Zheng, Zhiwei; Li, Gen; Chen, Jianli; Sui, Qiang","Crystal structure of tebipenem pivoxil","Acta Crystallographica Section E","2018","74","9","1215","1217","10.1107/S2056989018010770","","","1.54178","CuKα","","0.0472","0.0415","","","0.1133","0.1154","","","","","","1.044","","","","has coordinates,has Fobs","209714","2020-10-21","18:00:00",""
"2242590","17.5394","0.0007","13.5094","0.0007","13.7913","0.0006","90","","117.006","0.003","90","","2911.5","0.2","162","2","162","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>fac</i>-Bis[bis(pyridin-2-yl)methanamine]iron(II) 1,1,3,3-tetracyano-2-(dicyanomethylene)propane-1,3-diide, [Fe(dipa)~2~](tcpd)","","- C32 H22 Fe N12 -","- C32 H22 Fe N12 -","- C128 H88 Fe4 N48 -","4","0.5","HB7760","Setifi, Zouaoui; Corfield, Peter W. R.; Setifi, Fatima; Morgenstern, Bernd; Hegetschweiler, Kaspar; Kaddouri, Yassine","Crystal structure of <i>fac</i>-bis[bis(pyridin-2-yl)methanamine]iron(II) 1,1,3,3-tetracyano-2-(dicyanomethylidene)propane-1,3-diide, [Fe(dipa)~2~](tcpd)","Acta Crystallographica Section E","2018","74","9","1227","1230","10.1107/S2056989018011143","","","0.71073","MoKα","","0.0498","0.0355","","","0.0789","0.0849","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","209715","2020-10-21","18:00:00",""
"2242591","13.9787","0.0009","21.5654","0.0012","11.6625","0.0008","90","","111.639","0.005","90","","3268","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-Methoxy-5-methyl-2-phenyl-11,12-dihydro-5,11-methano-1,2,4-triazolo[1,5-<i>c</i>][1,3,5]benzoxadiazocine","6-Methoxy-9-methyl-12-phenyl-8-oxa-10,11,13,15-tetraazatetracyclo[7.6.1.0^2,7^.0^10,14^]hexadeca-2(7),3,5,11,13-pentaene","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C152 H144 N32 O16 -","8","2","XU5932","Gumus, Mustafa Kemal; Kansiz, Sevgi; Dege, Necmi; Kalibabchuk, Valentina A.","Hirshfeld surface analysis and crystal structure of 7-methoxy-5-methyl-2-phenyl-11,12-dihydro-5,11-methano-1,2,4-triazolo[1,5-<i>c</i>][1,3,5]benzoxadiazocine","Acta Crystallographica Section E","2018","74","9","1211","1214","10.1107/S2056989018010848","","","0.71073","MoKα","","0.0912","0.0447","","","0.0927","0.104","","","","","","0.907","","","","has coordinates,has Fobs","209716","2020-10-21","18:00:00",""
"2242592","36.04","0.03","11.517","0.011","14.406","0.014","90","","95.258","0.013","90","","5954","10","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","μ-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2'-bipyridine)chloridoruthenium(II)] bis(hexafluoridophosphate)","","- C44 H32 Cl2 F12 N10 O3 P2 Ru2 -","- C44 H32 Cl2 F12 N10 P2 Ru2 -","- C176 H128 Cl8 F48 N40 P8 Ru8 -","4","0.5","HB7761","Rein, Francisca N.; Chen, Weizhong; Scott, Brian L.; Rocha, Reginaldo C.","Crystal structure and redox potentials of the tppz-bridged {RuCl(bpy)}^+^ dimer","Acta Crystallographica Section E","2018","74","9","1250","1253","10.1107/S2056989018011258","","","0.71073","MoKα","","0.1926","0.0778","","","0.1739","0.221","","","","","","0.921","","","","has coordinates,has Fobs","209859","2020-10-21","18:00:00",""
"2242593","11.6596","0.0004","14.5734","0.0004","15.7","0.0005","90","","104.635","0.002","90","","2581.19","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diethyl 1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate","","- C26 H29 Cl2 N O6 S -","- C26 H29 Cl2 N O6 S -","- C104 H116 Cl8 N4 O24 S4 -","4","1","XU5934","Sribala, R.; Srinivasan, N.; Indumathi, S.; Krishnakumar, R. V.","Isomorphous diethyl 1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate and its 1-(4-methylbenzyl)-4-(4-methylphenyl)-substituted analogue obeying the chloro‒methyl exchange rule","Acta Crystallographica Section E","2018","74","9","1267","1271","10.1107/S2056989018011416","","","0.71073","MoKα","","0.0771","0.0465","","","0.1223","0.1433","","","","","","1.032","","","","has coordinates,has Fobs","209860","2020-10-21","18:00:00",""
"2242594","11.8641","0.0005","14.4765","0.0006","15.8654","0.0007","90","","104.96","0.002","90","","2632.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 1-(4-methylbenzyl)-4-(4-methylphenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","XU5934","Sribala, R.; Srinivasan, N.; Indumathi, S.; Krishnakumar, R. V.","Isomorphous diethyl 1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate and its 1-(4-methylbenzyl)-4-(4-methylphenyl)-substituted analogue obeying the chloro‒methyl exchange rule","Acta Crystallographica Section E","2018","74","9","1267","1271","10.1107/S2056989018011416","","","0.71073","MoKα","","0.0841","0.0512","","","0.1401","0.1632","","","","","","1.028","","","","has coordinates,has Fobs","209860","2020-10-21","18:00:00",""
"2242595","10.1806","0.0001","16.9578","0.0003","12.4534","0.0002","90","","96.9735","0.001","90","","2134.06","0.06","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[bis(3,5-diisopropylpyrazol-1-yl)acetato]zinc(II)","","- C40 H62 N8 O4 Zn -","- C40 H62 N8 O4 Zn -","- C80 H124 N16 O8 Zn2 -","2","0.5","JJ2201","Elsberg, Josiah G.; Spiropulos, Nicholas G.; Colson, Adam C.; Brown, Eric C.","Crystal structure of a homoleptic zinc(II) complex based on bis(3,5-diisopropylpyrazol-1-yl)acetate","Acta Crystallographica Section E","2018","74","9","1259","1262","10.1107/S2056989018011246","","","0.71073","MoKα","","0.0541","0.0332","","","0.0697","0.0749","","","","","","1.031","","","","has coordinates,has Fobs","209861","2020-10-21","18:00:00",""
"2242596","9.0154","0.0018","7.6122","0.0015","17.138","0.003","90","","104.38","0.03","90","","1139.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(quinolin-8-ol)silver(I) 2-hydroxy-3,5-dinitrobenzoate","","- C25 H17 Ag N4 O9 -","- C25 H17 Ag N4 O9 -","- C50 H34 Ag2 N8 O18 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0263","0.023","","","0.0524","0.0534","","","","","","1.34","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242597","25.0809","0.0015","6.7251","0.0004","18.9145","0.001","90","","97.658","0.006","90","","3161.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II) bis(2-hydroxy-3,5-dinitrobenzoate)","","- C26 H22 N12 O14 Zn -","- C26 H22 N12 O14 Zn -","- C104 H88 N48 O56 Zn4 -","4","0.5","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.075","0.0357","","","0.0652","0.0753","","","","","","1.23","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242598","5.8673","0.0007","8.0991","0.0009","15.2437","0.0017","86.844","0.003","84.252","0.003","81.209","0.003","711.69","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","2-Amino-5-methylpyridinium 3,5-dinitrosalicylate","2-Amino-5-methylpyridinium 2-hydroxy-3,5-dinitrobenzoate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C26 H24 N8 O14 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0596","0.0416","","","0.1031","0.1091","","","","","","2.06","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242599","10.0227","0.0005","10.5507","0.0005","12.5359","0.0006","81.858","0.001","71.888","0.001","70.009","0.001","1183.1","0.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H18 Cl2 N8 O8 -","- C19 H18 Cl2 N8 O8 -","- C38 H36 Cl4 N16 O16 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0649","0.0559","","","0.1449","0.1473","","","","","","3.41","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242600","8.1183","0.0007","6.0636","0.0005","14.1453","0.0011","90","","91.904","0.001","90","","695.93","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,5-Dimethylpyrazolium 3,5-dinitrosalicylate","","- C12 H12 N4 O7 -","- C12 H12 N4 O7 -","- C24 H24 N8 O14 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0664","0.0413","","","0.0803","0.0883","","","","","","1.16","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242601","6.6691","0.0003","11.3831","0.0004","12.29","0.0005","89.727","0.002","76.771","0.002","76.93","0.002","883.62","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","2-Isopropyl-6-methyl-4-oxo-3,4-dihydropyrimidin-1-ium 2-carboxy-4,6-dinitrophenolate monohydrate","","- C15 H18 N4 O9 -","- C15 H18 N4 O9 -","- C30 H36 N8 O18 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0552","0.0378","","","0.0804","0.0855","","","","","","1.77","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242602","6.1537","0.0003","19.1541","0.0014","14.5527","0.0011","90","","98.343","0.006","90","","1697.2","0.2","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Aza-8-azoniabicyclo[5.4.0]undec-7-ene 4-aminobenzoate","","- C16 H20 N4 O7 -","- C16 H19.998 N4 O7 -","- C64 H79.992 N16 O28 -","4","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0925","0.046","","","0.0806","0.0947","","","","","","1.33","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242603","14.5648","0.0003","12.9374","0.0003","16.1619","0.0003","90","","103.9","0.001","90","","2956.22","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cinnarizinium 3,5-dinitrosalicylate","4-(Diphenylmethyl)-1-(3-phenylprop-2-en-1-yl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate","","- C33 H32 N4 O7 -","- C33 H32 N4 O7 -","- C132 H128 N16 O28 -","4","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0672","0.0542","","","0.1785","0.1898","","","","","","1.8","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242604","14.8002","0.0015","7.4029","0.0016","16.0091","0.0016","90","","96.395","0.008","90","","1743.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3,5-Dinitrosalicylic acid‒phenazine (1/1)","3,5-Dinitrosalicylic acid‒phenazine (1/1)","","- C19 H12 N4 O7 -","- C19 H12 N4 O7 -","- C76 H48 N16 O28 -","4","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.1521","0.0437","","","0.0681","0.0825","","","","","","1.08","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242605","11.757","0.002","18.297","0.004","13.223","0.003","90","","103.91","0.03","90","","2761.1","1.1","173.5","","173.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')silver(I) 3,5-dinitrosalicylate","","- C31 H15 Ag N6 O11 -","- C31 H15 Ag N6 O11 -","- C124 H60 Ag4 N24 O44 -","4","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.1053","0.0622","","","0.1016","0.1181","","","","","","1.64","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242606","7.0109","0.0004","10.6617","0.0008","10.7454","0.0007","93.075","0.006","95.863","0.005","104.944","0.006","769.3","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-(1<i>H</i>-Imidazol-1-yl)propanaminium 2-carboxy-4,6-dinitrophenolate","","- C13 H15 N5 O7 -","- C13 H15 N5 O7 -","- C26 H30 N10 O14 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","1.54184","CuKα","","0.0478","0.0406","","","0.0951","0.1001","","","","","","1.64","","","","has coordinates","211179","2020-10-21","18:00:00",""
"2242607","8.5551","0.0001","10.5","0.0002","12.7576","0.0003","106.463","0.001","100.913","0.001","108.272","0.001","993.72","0.03","296","2","296","","","","","","","","","5","P -1","-P 1","2","4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium 3,5-dinitrosalicylate","4-{[(5-Methylisoxazol-3-yl)amino]sulfonyl}anilinium 2-hydroxy-3,5-dinitrobenzoate","","- C17 H15 N5 O10 S -","- C17 H15 N5 O10 S -","- C34 H30 N10 O20 S2 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0693","0.0443","","","0.0984","0.1036","","","","","","1.95","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242608","6.5296","0.0005","15.7145","0.0013","9.555","0.0007","90","","93.327","0.004","90","","978.78","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Cyano-1-methylpyridinium hexafluoridophosphate","","- C7 H7 F6 N2 P -","- C7 H7 F6 N2 P -","- C28 H28 F24 N8 P4 -","4","1","","Mague, Joel T.; Larrabee, Erin; Olivier, David; Vaccaro, Francesca; Riley, Kevin E.; Koplitz, Lynn V.","Crystal structures of the hexafluoridophosphate salts of the isomeric 2-, 3- and 4-cyano-1-methylpyridinium cations and determination of solid-state interaction energies","Acta Crystallographica Section E","2018","74","9","1322","1329","10.1107/S2056989018011003","","","1.54178","CuKα","","0.0469","0.0421","","","0.1112","0.1145","","","","","","1.067","","","","has coordinates,has Fobs","210132","2020-10-21","18:00:00",""
"2242609","7.8484","0.0002","10.8964","0.0002","11.8669","0.0003","90","","90","","90","","1014.85","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Cyano-1-methylpyridinium hexafluoridophosphate","","- C7 H7 F6 N2 P -","- C7 H7 F6 N2 P -","- C28 H28 F24 N8 P4 -","4","1","","Mague, Joel T.; Larrabee, Erin; Olivier, David; Vaccaro, Francesca; Riley, Kevin E.; Koplitz, Lynn V.","Crystal structures of the hexafluoridophosphate salts of the isomeric 2-, 3- and 4-cyano-1-methylpyridinium cations and determination of solid-state interaction energies","Acta Crystallographica Section E","2018","74","9","1322","1329","10.1107/S2056989018011003","","","1.54178","CuKα","","0.0364","0.0357","","","0.0939","0.0948","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","210132","2020-10-21","18:00:00",""
"2242610","8.5293","0.0006","8.6264","0.0007","13.3589","0.001","90","","90","","90","","982.91","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Cyano-1-methylpyridinium hexafluoridophosphate","","- C7 H7 F6 N2 P -","- C7 H7 F6 N2 P -","- C28 H28 F24 N8 P4 -","4","1","","Mague, Joel T.; Larrabee, Erin; Olivier, David; Vaccaro, Francesca; Riley, Kevin E.; Koplitz, Lynn V.","Crystal structures of the hexafluoridophosphate salts of the isomeric 2-, 3- and 4-cyano-1-methylpyridinium cations and determination of solid-state interaction energies","Acta Crystallographica Section E","2018","74","9","1322","1329","10.1107/S2056989018011003","","","0.71073","MoKα","","0.0337","0.0306","","","0.0829","0.0844","","","","","","1.126","","","","has coordinates,has Fobs","210132","2020-10-21","18:00:00",""
"2242611","10.3198","0.0002","10.3198","0.0002","7.3684","0.0001","90","","90","","90","","784.72","0.02","301","2","301","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","titanium bismuth suboxide","Titanium bismuth oxide (8/9/0.25)","","- Bi9 O0.25 Ti8 -","- Bi9 O0.25 Ti8 -","- Bi18 O0.5 Ti16 -","2","","","Yamane, Hisanori; Hiraka, Keita","Crystal structure of Ti~8~Bi~9~O~0.25~ containing interstitial oxygen atoms","Acta Crystallographica Section E","2018","74","9","1366","1368","10.1107/S205698901801188X","","","0.71073","MoKα","","0.0208","0.0201","","","0.0439","0.0441","","","","","","1.361","","","","has coordinates,has Fobs","210133","2020-10-21","18:00:00",""
"2242612","5.3695","0.0004","9.5278","0.0008","10.2972","0.0009","96.814","0.007","93.432","0.007","102.977","0.007","507.68","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","C-propargyl lawsone","2-Hydroxy-3-(prop-2-yn-1-yl)naphthalene-1,4-dione","","- C13 H8 O3 -","- C13 H8 O3 -","- C26 H16 O6 -","2","1","IS5498","Raquel Geralda, Isidório; Flaviano Melo, Ottoni; Ricardo José, Alves; Nivaldo Lúcio, Speziali","Crystal structure of 2-hydroxy-3-(prop-2-yn-1-yl)naphthalene-1,4-dione","Acta Crystallographica Section E","2018","74","9","1319","1321","10.1107/S2056989018011647","","","0.71073","MoKα","","0.089","0.0512","","","0.1251","0.1472","","","","","","1.047","","","","has coordinates","210134","2020-10-21","18:00:00",""
"2242613","11.9796","0.0013","12.6935","0.0013","6.5239","0.0007","90","","114.555","0.003","90","","902.33","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sodium magnesium indium(III) tris(orthophosphate)","","- In1.15 Mg1.85 Na1.85 O12 P3 -","- In1.15 Mg1.85 Na1.848 O12 P3 -","- In4.6 Mg7.4 Na7.392 O48 P12 -","4","0.5","WM5457","Ould Saleck, Ahmed; Assani, Abderrazzak; Saadi, Mohamed; Mercier, Cyrille; Follet, Claudine; El Ammari, Lahcen","Na~1.85~Mg~1.85~In~1.15~(PO~4~)~3~ and Ag~1.69~Mg~1.69~In~1.31~(PO~4~)~3~ with alluaudite-type structures","Acta Crystallographica Section E","2018","74","9","1358","1361","10.1107/S2056989018011799","","","0.71073","MoKα","","0.0252","0.0243","","","0.0578","0.0581","","","","","","1.293","","","","has coordinates,has Fobs","210135","2020-10-21","18:00:00",""
"2242614","12.0273","0.0003","12.812","0.0003","6.5061","0.0002","90","","114.519","0.001","90","","912.14","0.04","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver magnesium indium(III) tris(orthophosphate)","","- Ag1.69 In1.31 Mg1.69 O12 P3 -","- Ag1.6988 In1.314 Mg1.688 O12 P3 -","- Ag6.7952 In5.256 Mg6.752 O48 P12 -","4","0.5","WM5457","Ould Saleck, Ahmed; Assani, Abderrazzak; Saadi, Mohamed; Mercier, Cyrille; Follet, Claudine; El Ammari, Lahcen","Na~1.85~Mg~1.85~In~1.15~(PO~4~)~3~ and Ag~1.69~Mg~1.69~In~1.31~(PO~4~)~3~ with alluaudite-type structures","Acta Crystallographica Section E","2018","74","9","1358","1361","10.1107/S2056989018011799","","","0.71073","MoKα","","0.0221","0.0219","","","0.0525","0.0525","","","","","","1.251","","","","has coordinates,has Fobs","210135","2020-10-21","18:00:00",""
"2242615","4.8744","0.0002","5.0042","0.0002","21.0759","0.001","90","","93.867","0.004","90","","512.92","0.04","140","1","140","1","","","","","","","","5","P 1 21 1","P 2yb","4","Sodium (1<i>S</i>)-<i>D</i>-mannit-1-ylsulfonate","Sodium (1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-1,2,3,4,5,6-\ hexahydroxyhexane-1-sulfonate","","- C6 H13 Na O9 S -","- C6 H13 Na O9 S -","- C12 H26 Na2 O18 S2 -","2","1","HB7768","Haines, Alan H.; Hughes, David L.","Crystal structure of sodium (1<i>S</i>)-<small>D</small>-mannit-1-ylsulfonate","Acta Crystallographica Section E","2018","74","9","1314","1318","10.1107/S2056989018011556","","","0.71073","Mo-Kα","","0.0401","0.0391","","","0.0924","0.0928","","","","","","1.163","","","","has coordinates,has Fobs","210136","2020-10-21","18:00:00",""
"2242616","7.8428","0.0003","8.0256","0.0003","9.3965","0.0003","109.915","0.001","92.832","0.001","104.493","0.001","532.46","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Trimethyl citrate","Trimethyl 2-hydroxypropane-1,2,3-tricarboxylate","","- C9 H14 O7 -","- C9 H14 O7 -","- C18 H28 O14 -","2","1","SJ5563","Morjan, Rami Y.; El-Kurdi, Said M.; Azarah, Jannat N.; Eleiwa, Neda A.; Abu-Teim, Omar S.; Awadallah, Adel M.; Raftery, James; Gardiner, John M.","Inversion dimers dominate the crystal packing in the structure of trimethyl citrate (trimethyl 2-hydroxypropane-1,2,3-tricarboxylate)","Acta Crystallographica Section E","2018","74","9","1362","1365","10.1107/S2056989018011222","","","1.54178","CuKα","","0.0401","0.0383","","","0.1034","0.1099","","","","","","1.081","","","","has coordinates,has Fobs","210137","2020-10-21","18:00:00",""
"2242617","10.6894","0.0006","11.1623","0.0006","14.0025","0.0007","90","","90","","90","","1670.75","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>S</i>,5<i>R</i>)-2-[Bis(2-chloroethyl)amino]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidin-2-one","","- C14 H21 Cl2 N2 O2 P -","- C14 H21 Cl2 N2 O2 P -","- C56 H84 Cl8 N8 O8 P4 -","4","1","FY2130","Rohde Jr, Laurence N.; Zeller, Matthias; Jackson, John A.","Crystal structures of chiral 2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphospholidin-2-one derivatives for the absolute configuration at phosphorus","Acta Crystallographica Section E","2018","74","9","1330","1335","10.1107/S2056989018011349","","","0.71073","MoKα","","0.0282","0.0243","","","0.0629","0.0644","","","","","","1.065","","","","has coordinates,has Fobs","210138","2020-10-21","18:00:00",""
"2242618","12.1044","0.0017","5.3162","0.0008","12.8933","0.0017","90","","115.409","0.004","90","","749.42","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-2-[Bis(2-chloroethyl)amino]-4-isobutyl-1,3,2-oxazaphospholidin-2-one","","- C10 H21 Cl2 N2 O2 P -","- C10 H21 Cl2 N2 O2 P -","- C20 H42 Cl4 N4 O4 P2 -","2","1","FY2130","Rohde Jr, Laurence N.; Zeller, Matthias; Jackson, John A.","Crystal structures of chiral 2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphospholidin-2-one derivatives for the absolute configuration at phosphorus","Acta Crystallographica Section E","2018","74","9","1330","1335","10.1107/S2056989018011349","","","0.71073","MoKα","","0.081","0.048","","","0.0873","0.0953","","","","","","1.02","","","","has coordinates,has Fobs","210138","2020-10-21","18:00:00",""
"2242619","12.1287","0.0005","10.553","0.0004","17.5838","0.0008","90","","104.435","0.004","90","","2179.57","0.16","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Triphenylphosphoranylidene)-2,5-dihydrofuran-2,5-dione tetrahydrofuran monosolvate","","- C26 H25 O4 P -","- C26 H25 O4 P -","- C104 H100 O16 P4 -","4","1","RZ5234","Zagidullin, Almaz; Islamov, Daut; Oshchepkova, Elena; Lonnecke, Peter; Miluykov, Vasili","Crystal structure of 3-(triphenylphosphoranylidene)-2,5-dihydrofuran-2,5-dione tetrahydrofuran monosolvate","Acta Crystallographica Section E","2018","74","9","1336","1338","10.1107/S2056989018011775","","","0.71073","MoKα","","0.0995","0.0618","","","0.1145","0.1301","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","210139","2020-10-21","18:00:00",""
"2242620","11.1962","0.0008","13.5321","0.001","15.5615","0.0008","90","","107.705","0.006","90","","2246","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-(1,3-dimesityl-1<i>H</i>-imidazol-3-ium-2-yl)methanolato-κ^2^<i>O</i>:<i>O</i>]bis[dichloridocopper(II)]","","- C44 H52 Cl4 Cu2 N4 O2 -","- C44 H52 Cl4 Cu2 N4 O2 -","- C88 H104 Cl8 Cu4 N8 O4 -","2","0.5","PJ2057","Dodds, Christopher A.; Kennedy, Alan R.","Crystal structure of the [(1,3-dimesityl-1<i>H</i>-imidazol-3-ium-2-yl)methanolato]copper(II) chloride dimer: insertion of formaldehyde into a copper‒carbene bond","Acta Crystallographica Section E","2018","74","9","1369","1372","10.1107/S205698901801201X","","","0.71073","MoKα","","0.1326","0.0617","","","0.1149","0.1441","","","","","","1.048","","","","has coordinates,has Fobs","210289","2020-10-21","18:00:00",""
"2242621","14.7668","0.0002","15.5936","0.0002","17.227","0.0012","111.053","0.008","91.616","0.007","92.898","0.007","3692.7","0.3","123","2","123.15","","","","","","","","","4","P 1","P 1","1","(<i>S</i>)-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilylglycerol","3-[(<i>tert</i>-Butyldiphenylsilyl)oxy]propane-1,2-diol","","- C19 H26 O3 Si -","- C19 H26 O3 Si -","- C152 H208 O24 Si8 -","8","8","ZL2734","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.; e Silva, Maria Joselice","Crystal structure of (<i>S</i>)-1-<i>O</i>-<i>tert</i>-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell","Acta Crystallographica Section E","2018","74","9","1373","1379","10.1107/S2056989018012021","","","0.71075","MoKα","","0.0403","0.0373","","","0.0951","0.0969","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","210290","2020-10-21","18:00:00",""
"2242622","14.7922","0.001","15.6306","0.001","17.2048","0.0011","110.901","0.002","91.705","0.002","92.851","0.002","3706.8","0.4","173","2","173.15","","","","","","","","","4","P 1","P 1","1","(S)-1-O-t-butyldiphenylsilylglycerol","(S)-1-O-t-butyldiphenylsilylpropane-2,3-diol","","- C19 H26 O3 Si -","- C19 H26 O3 Si -","- C152 H208 O24 Si8 -","8","8","","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.; e Silva, Maria Joselice","Crystal structure of (<i>S</i>)-1-<i>O</i>-<i>tert</i>-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell","Acta Crystallographica Section E","2018","74","9","1373","1379","10.1107/S2056989018012021","","","0.71073","MoKα","","0.0604","0.0457","","","0.1095","0.1183","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","210290","2020-10-21","18:00:00",""
"2242623","30.797","0.003","13.8527","0.0012","21.135","0.003","90","","132.857","0.001","90","","6609.7","1.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ~2~-(<i>E</i>)-2,4-dibromo-6-{[2-(pyridin-2-yl)ethyl]iminomethyl}phenolato)trizinc bis(perchlorate) acetonitrile disolvate","","- C60 H50 Br8 Cl2 N10 O12 Zn3 -","- C60 H50 Br8 Cl2 N10 O12 Zn3 -","- C240 H200 Br32 Cl8 N40 O48 Zn12 -","4","0.5","JJ2202","Okeke, Ugochukwu; Otchere, Raymond; Gultneh, Yilma; Butcher, Ray J.","Crystal structure of tetrakis(μ~2~-(<i>E</i>)-2,4-dibromo-6-{[2-(pyridin-2-yl)ethyl]iminomethyl}phenolato)trizinc bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section E","2018","74","9","1380","1383","10.1107/S2056989018012100","","","0.71073","MoKα","","0.0402","0.0283","","","0.0625","0.0664","","","","","","1.014","","","","has coordinates,has Fobs","210291","2020-10-21","18:00:00",""
"2242624","2.4473","0.001","3.4688","0.0014","3.5144","0.0013","105.22","0.04","110.6","0.04","91.39","0.03","26.72","0.02","293","","293","","","","","","","","","2","P -1","-P 1","2","","Iron tetranitride","","- Fe N4 -","- Fe N4 -","- Fe N4 -","1","0.5","WM5459","Bykov, Maxim; Khandarkhaeva, Saiana; Fedotenko, Timofey; Sedmak, Pavel; Dubrovinskaia, Natalia; Dubrovinsky, Leonid","Synthesis of FeN~4~ at 180GPa and its crystal structure from a submicron-sized grain","Acta Crystallographica Section E","2018","74","10","1392","1395","10.1107/S2056989018012161","","","0.30996","synchrotron","","0.0413","0.0403","","","0.0813","0.0815","","","","","","1.183","","","","has coordinates,has Fobs","210555","2020-10-21","18:00:00",""
"2242625","14.572","0.003","8.7989","0.0018","16.982","0.003","90","","111.92","0.03","90","","2020","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3a<i>SR</i>,4<i>RS</i>,4a<i>RS</i>,7a<i>SR</i>)-5-Oxothieno[2,3-<i>f</i>]isoindole-4-carboxylic acid","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","YK2117","Toze, Flavien A. A.; Nadirova, Maryana A.; Mertsalov, Dmitriy F.; Sokolova, Julya S.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","IMDAV reaction between phenylmaleic anhydride and thienyl(furyl)allylamines: synthesis and molecular structure of (3a<i>SR</i>,4<i>RS</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxothieno- and (3a<i>SR</i>,4<i>SR</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxofuro[2,3-<i>f</i>]isoindole-4-carboxylic acids","Acta Crystallographica Section E","2018","74","10","1400","1404","10.1107/S2056989018012239","","","0.9626","synchrotron","","0.1192","0.082","","","0.1923","0.2444","","","","","","1.038","","","","has coordinates,has Fobs","210556","2020-10-21","18:00:00",""
"2242626","8.1851","0.0016","11.025","0.002","11.795","0.002","99.14","0.03","92.51","0.03","107.99","0.03","994.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3a<i>SR</i>,4<i>SR</i>,4a<i>RS</i>,7a<i>S</i>R)-5-Oxofuro[2,3-<i>f</i>]isoindole-4-carboxylic acid","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","YK2117","Toze, Flavien A. A.; Nadirova, Maryana A.; Mertsalov, Dmitriy F.; Sokolova, Julya S.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","IMDAV reaction between phenylmaleic anhydride and thienyl(furyl)allylamines: synthesis and molecular structure of (3a<i>SR</i>,4<i>RS</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxothieno- and (3a<i>SR</i>,4<i>SR</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxofuro[2,3-<i>f</i>]isoindole-4-carboxylic acids","Acta Crystallographica Section E","2018","74","10","1400","1404","10.1107/S2056989018012239","","","0.81182","synchrotron","","0.0502","0.0475","","","0.1263","0.1287","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","210556","2020-10-21","18:00:00",""
"2242627","10.5557","0.0007","35.308","0.002","8.5951","0.0005","90","","99.591","0.002","90","","3158.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(η^4^-Cyclooctadiene)(3,3'-dimesityl-1,1'-methylenediimidazoline-2,2'-diylidene)nickel(0) tetrahydrofuran monosolvate","","- C37 H48 N4 Ni O -","- C37 H48 N4 Ni O -","- C148 H192 N16 Ni4 O4 -","4","1","ZL2737","Yamamoto, Carlos D.; Zhang, Zijie; Stieber, Sabine Chantal E.","Crystal structure of (η^4^-cyclooctadiene)(3,3'-dimesityl-1,1'-methylenediimidazoline-2,2'-diylidene)nickel(0) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2018","74","10","1396","1399","10.1107/S2056989018012252","","","0.71073","MoKα","","0.0942","0.0478","","","0.0843","0.1037","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","210557","2020-10-21","18:00:00",""
"2242628","9.6834","0.0003","18.239","0.0005","12.2073","0.0003","90","","105.446","0.0014","90","","2078.12","0.1","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C92 H120 N8 O12 -","4","1","DS2251","Steiger, Scott A.; Li, Chun; Natale, Nicholas R.","Crystal structure of ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2018","74","10","1417","1420","10.1107/S2056989018011982","","","0.71073","MoKα","","0.0637","0.0492","","","0.1293","0.1421","","","","","","1.021","","","","has coordinates,has Fobs","210870","2020-10-21","18:00:00",""
"2242629","10.5172","0.0003","7.421","0.0002","23.5592","0.0005","90","","93.861","0.002","90","","1834.58","0.08","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","<i>catena</i>-Poly[bis(2-amino-3-hydroxypyridinium) [zinc-di-μ-phosphonato] dihydrate]","","- C10 H20 N4 O10 P2 Zn -","- C10 H20 N4 O10 P2 Zn -","- C40 H80 N16 O40 P8 Zn4 -","4","2","CQ2027","Holmes, William; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Template or ligand? Different structural behaviours of aromatic amines in combination with zincophosphite networks","Acta Crystallographica Section E","2018","74","10","1411","1416","10.1107/S2056989018012343","","","0.71073","MoKα","","0.0562","0.0457","","","0.1108","0.1211","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","210871","2020-10-21","18:00:00",""
"2242630","8.0419","0.0002","13.5008","0.0004","8.1307","0.0002","90","","90","","90","","882.77","0.04","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Poly[(benzene-1,2-diamine)(μ~5~-phosphonato)zinc]","","- C6 H9 N2 O3 P Zn -","- C6 H9 N2 O3 P Zn -","- C24 H36 N8 O12 P4 Zn4 -","4","1","CQ2027","Holmes, William; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Template or ligand? Different structural behaviours of aromatic amines in combination with zincophosphite networks","Acta Crystallographica Section E","2018","74","10","1411","1416","10.1107/S2056989018012343","","","0.71073","MoKα","","0.0229","0.0218","","","0.0509","0.0513","","","","","","1.035","","","","has coordinates,has Fobs","210871","2020-10-21","18:00:00",""
"2242631","19.936","0.007","10.603","0.004","18.692","0.007","90","","105.925","0.004","90","","3800","2","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[manganese(II)-μ~3~-acetato-di-μ~2~-acetato-[aquamanganese(II)]-μ~2~-acetato-μ-(pyridine <i>N</i>-oxide)-manganese(II)-μ~3~-acetato-μ~2~-acetato-μ-(pyridine <i>N</i>-oxide)-[aquamanganese(II)]-di-μ~2~-acetato]","","- C26 H38 Mn4 N2 O20 -","- C26 H38 Mn4 N2 O20 -","- C104 H152 Mn16 N8 O80 -","4","0.5","ZL2728","Lynch, Will; Lynch, Genevieve; Sheriff, Kirk; Padgett, Clifford","Structures of substituted pyridine <i>N</i>-oxide with manganese(II) acetate","Acta Crystallographica Section E","2018","74","10","1405","1410","10.1107/S205698901801232X","","","0.71073","MoKα","","0.0376","0.032","","","0.0789","0.0828","","","","","","1.077","","","","has coordinates,has Fobs","210872","2020-10-21","18:00:00",""
"2242632","9.7704","0.0003","10.5882","0.0007","11.472","0.0002","65.76","0.02","83.84","0.02","65.512","0.015","982","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquamanganese(II)]-μ~3~-acetato-μ~2~-acetato-μ-(2-methylpyridine <i>N</i>-oxide)-[aquamanganese(II)]-di-μ~2~-acetato-manganese(II)-di-μ~2~-acetato-μ~3~-acetato-[aquamanganese(II)]-μ~2~-acetato-μ-(2-methylpyridine <i>N</i>-oxide)]","","- C28 H42 Mn4 N2 O20 -","- C28 H42 Mn4 N2 O20 -","- C28 H42 Mn4 N2 O20 -","1","0.5","ZL2728","Lynch, Will; Lynch, Genevieve; Sheriff, Kirk; Padgett, Clifford","Structures of substituted pyridine <i>N</i>-oxide with manganese(II) acetate","Acta Crystallographica Section E","2018","74","10","1405","1410","10.1107/S205698901801232X","","","0.71073","MoKα","","0.0552","0.0406","","","0.089","0.1014","","","","","","1.063","","","","has coordinates,has Fobs","210872","2020-10-21","18:00:00",""
"2242633","11.1","0.003","7.334","0.003","15.9808","0.0004","90","","96.5","0.011","90","","1292.6","0.6","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[manganese(II)-di-μ~2~-acetato-μ-(4-methylpyridine <i>N</i>-oxide)] monohydrate]","","- C10 H15 Mn N O6 -","- C10 H15 Mn N O6 -","- C40 H60 Mn4 N4 O24 -","4","1","ZL2728","Lynch, Will; Lynch, Genevieve; Sheriff, Kirk; Padgett, Clifford","Structures of substituted pyridine <i>N</i>-oxide with manganese(II) acetate","Acta Crystallographica Section E","2018","74","10","1405","1410","10.1107/S205698901801232X","","","0.71073","MoKα","","0.0636","0.0451","","","0.0931","0.1051","","","","","","1.073","","","","has coordinates,has Fobs","210872","2020-10-21","18:00:00",""
"2242634","31.872","0.006","12.64","0.002","16.881","0.003","90","","109.99","0.002","90","","6391","1.9","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[Bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)manganese bis(2,6-diisopropylphenyl) phosphate methanol trisolvate","","- C56 H100 Mn O16 P2 -","- C56 H100 Mn O16 P2 -","- C224 H400 Mn4 O64 P8 -","4","1","PJ2055","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Nifant'ev, Ilya E.; Churakov, Andrei V.; Dmitrienko, Artem O.; Lyssenko, Konstantin A.","[Bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)manganese bis(2,6-diisopropylphenyl) phosphate methanol trisolvate","Acta Crystallographica Section E","2018","74","10","1433","1438","10.1107/S2056989018012859","","","0.71073","MoKα","","0.0847","0.0721","","","0.1869","0.1974","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","210973","2020-10-21","18:00:00",""
"2242635","11.052","0.008","4.565","0.004","13.541","0.01","90","","97.997","0.011","90","","676.5","0.9","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>E</i>)-3-[(2,6-Dimethylphenyl)diazenyl]-7-methyl-1<i>H</i>-indazole","","- C16 H16 N4 -","- C16 H16 N4 -","- C32 H32 N8 -","2","1","EB2011","Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","Crystal structure of (<i>E</i>)-3-[(2,6-dimethylphenyl)diazenyl]-7-methyl-1<i>H</i>-indazole","Acta Crystallographica Section E","2018","74","10","1421","1423","10.1107/S2056989018012483","","","0.71073","MoKα","","0.0863","0.0674","","","0.1642","0.1795","","","","","","1.01","","","","has coordinates","210974","2020-10-21","18:00:00",""
"2242636","12.9197","0.0014","12.7282","0.0013","10.9016","0.0012","90","","105.212","0.002","90","","1729.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(4-nitrophenyl)prop-2-en-1-one","","- C23 H15 N O3 -","- C23 H15 N O3 -","- C92 H60 N4 O12 -","4","1","XU5939","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structure, spectroscopic characterization and DFT study of two new linear fused-ring chalcones","Acta Crystallographica Section E","2018","74","10","1427","1432","10.1107/S2056989018012641","","","0.71073","MoKα","","0.0789","0.0508","","","0.1181","0.1356","","","","","","1.029","","","","has coordinates,has Fobs","210975","2020-10-21","18:00:00",""
"2242637","14.8004","0.0012","11.3095","0.0009","11.5139","0.0009","90","","111.361","0.0013","90","","1794.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(4-iodophenyl)prop-2-en-1-one","","- C23 H15 I O -","- C23 H15 I O -","- C92 H60 I4 O4 -","4","1","XU5939","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structure, spectroscopic characterization and DFT study of two new linear fused-ring chalcones","Acta Crystallographica Section E","2018","74","10","1427","1432","10.1107/S2056989018012641","","","0.71073","MoKα","","0.0514","0.0343","","","0.0862","0.0972","","","","","","1.019","","","","has coordinates,has Fobs","210975","2020-10-21","18:00:00",""
"2242638","5.251","0.002","6.317","0.002","12.999","0.005","90","","91.643","0.004","90","","431","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,6-Dihydroxy-4,5-dimethylbenzene-1,2-dicarbaldehyde","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","VM2211","Yamazaki, Shu; Nishiyama, Kazuki; Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","Crystal structure of 3,6-dihydroxy-4,5-dimethylbenzene-1,2-dicarbaldehyde","Acta Crystallographica Section E","2018","74","10","1424","1426","10.1107/S2056989018012495","","","0.71073","MoKα","","0.0294","0.0289","","","0.0813","0.0821","","","","","","1.06","","","","has coordinates,has Fobs","210976","2020-10-21","18:00:00",""
"2242639","15.1582","0.0012","12.353","0.0009","24.2353","0.0017","90","","106.374","0.003","90","","4354","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","18043zz","Bis{3,5-difluoro-2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-κ^2^<i>N</i>,<i>C</i>^1^}(picolinato-κ^2^<i>N</i>,<i>O</i>)iridium(III)","","- C46 H36 F4 Ir N3 O2 -","- C46 H36 F4 Ir N3 O2 -","- C184 H144 F16 Ir4 N12 O8 -","4","1","LH5880","Sanner, Robert D.; Young, Jr, Victor G.","The crystal structure of bis{3,5-difluoro-2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl}(picolinato)iridium(III) and its 4-<i>tert</i>-butylpyridin-2-yl analogue","Acta Crystallographica Section E","2018","74","10","1467","1470","10.1107/S2056989018012409","","","0.71073","MoKα","","0.04","0.0303","","","0.06","0.0633","","","","","","1.099","","","","has coordinates,has Fobs","211110","2020-10-21","18:00:00",""
"2242640","14.7519","0.0007","14.4121","0.0007","18.5425","0.0008","90","","104.776","0.0019","90","","3811.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","18062zz","Bis[2-(4-<i>tert</i>-butylpyridin-2-yl)-3,5-difluorophenyl-κ^2^<i>N</i>,<i>C</i>^1^](picolinato-κ^2^<i>N</i>,<i>O</i>)iridium(III)","","- C36 H32 F4 Ir N3 O2 -","- C36 H32 F4 Ir N3 O2 -","- C144 H128 F16 Ir4 N12 O8 -","4","1","","Sanner, Robert D.; Young, Jr, Victor G.","The crystal structure of bis{3,5-difluoro-2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl}(picolinato)iridium(III) and its 4-<i>tert</i>-butylpyridin-2-yl analogue","Acta Crystallographica Section E","2018","74","10","1467","1470","10.1107/S2056989018012409","","","0.71073","MoKα","","0.0405","0.0252","","","0.0526","0.0574","","","","","","1.023","","","","has coordinates,has Fobs","211110","2020-10-21","18:00:00",""
"2242641","10.831","0.002","4.402","0.0005","28.457","0.005","90","","105.254","0.006","90","","1309","0.4","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(3,5-Dichloro-2-hydroxyphenyl)-3-(5-methylfuran-\ 2-yl)prop-2-en-1-one","","- C14 H10 Cl2 O3 -","- C14 H10 Cl2 O3 -","- C56 H40 Cl8 O12 -","4","1","QM2127","Sreenatha, N. R.; Lakshminarayana, B. N.; Ganesha, D. P.; Gnanendra, C. R.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","10","1451","1454","10.1107/S2056989018012173","","","0.71073","MoKα","","0.0782","0.0612","","","0.182","0.2149","","","","","","1.087","","","","has coordinates,has Fobs","211111","2020-10-21","18:00:00",""
"2242642","9.625","0.001","9.673","0.001","18.5","0.002","95.37","0.01","93.38","0.01","92.77","0.01","1709.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis(2-nitrophenyl)glutaramide","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C68 H64 N16 O24 -","4","2","ZL2738","Salian, Akshatha R.; Foro, Sabine; Kumar, S. Madan; Thimme Gowda, B.","Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-bis(2-nitrophenyl)glutaramide","Acta Crystallographica Section E","2018","74","10","1455","1459","10.1107/S2056989018013075","","","0.71073","MoKα","","0.1056","0.0581","","","0.1311","0.1577","","","","","","1.05","","","","has coordinates,has Fobs","211112","2020-10-21","18:00:00",""
"2242643","13.5195","0.0003","13.0697","0.0003","42.9248","0.0009","90","","92.475","0.002","90","","7577.6","0.3","99.99","0.16","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-11'-(1-Acetyl-1<i>H</i>-indazol-3-yl)-11',11a'-dihydro-10'<i>H</i>,17'<i>H</i>-spiro[indene-2,18'-[5a,16b]methanotriindeno[1,2-<i>b</i>:1',2'-<i>d</i>:2'',1''-<i>g</i>]oxocine]-1,3,10',12',17'(10a'<i>H</i>)-pentaone acetonitrile 1.5-solvate","","- C49 H30.5 N3.5 O7 -","- C49 H30.5 N3.5 O7 -","- C392 H244 N28 O56 -","8","2","ZQ2241","Baranov, Mark; Vainer, Radion; Sigalov, Mark V.","Crystal structure determination of <i>rac</i>-11'-(1-acetyl-1<i>H</i>-indazol-3-yl)-11',11<i>a</i>'-dihydro-10'<i>H</i>,17'<i>H</i>-spiro[indene-2,18'-[5a,16<i>b</i>]methanotriindeno[1,2-<i>b</i>:1',2'-<i>d</i>:2'',1''-<i>g</i>]oxocine]-1,3,10',12',17'(10<i>a</i>'<i>H</i>)-pentaone acetonitrile 1.5-solvate","Acta Crystallographica Section E","2018","74","10","1444","1447","10.1107/S2056989018011763","","","0.71073","MoKα","","0.0574","0.0471","","","0.1167","0.1221","","","","","","1.028","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2242644","11.1559","0.0003","3.9258","0.0001","21.6293","0.0006","90","","90","","90","","947.27","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(1<i>H</i>-Pyrrol-2-yl)-1-(thiophen-2-yl)propanone","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","TX2008","Gibbons, Dáire; Emandi, Ganapathi; Senge, Mathias O.","Crystal structure and synthesis of 3-(1<i>H</i>-pyrrol-2-yl)-1-(thiophen-2-yl)propanone","Acta Crystallographica Section E","2018","74","10","1463","1466","10.1107/S2056989018012331","","x-ray","0.71073","MoKα","","0.0346","0.0321","","","0.0802","0.0821","","","","","","1.059","","","","has coordinates,has Fobs","211114","2020-10-21","18:00:00",""
"2242645","7.3925","0.0004","6.2777","0.0003","18.6065","0.0009","90","","96.243","0.007","90","","858.37","0.08","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(3,3,3-trifluoroprop-1-en-1-yl)aniline","","- C9 H8 F3 N -","- C9 H8 F3 N -","- C36 H32 F12 N4 -","4","1","IS5499","Kubono, Koji; Tani, Keita; Omote, Masaaki; Ogawa, Futa; Matsumoto, Taisuke","Crystal Structure of (<i>E</i>)-2-(3,3,3-trifluoroprop-1-en-1-yl)aniline","Acta Crystallographica Section E","2018","74","10","1448","1450","10.1107/S2056989018012756","","","1.54187","CuKα","","0.0795","0.0612","","","0.1614","0.1754","","","","","","1.033","","","","has coordinates,has Fobs","211115","2020-10-21","18:00:00",""
"2242646","13.4168","0.0006","6.607","0.0003","20.5831","0.0009","90","","93.032","0.001","90","","1822.03","0.14","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[3-(<i>tert</i>-Butyl)-2-hydroxybenzylidene]-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","","- C18 H27 N3 O S -","- C18 H27 N3 O S -","- C72 H108 N12 O4 S4 -","4","1","LD2145","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Razali, Mohd. R.","Crystal structure of (<i>E</i>)-2-[3-(<i>tert</i>-butyl)-2-hydroxybenzylidene]-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","Acta Crystallographica Section E","2018","74","10","1460","1462","10.1107/S2056989018013129","","","0.71073","MoKα","","0.035","0.0316","","","0.082","0.0856","","","","","","1.039","","","","has coordinates,has Fobs","211116","2020-10-21","18:00:00",""
"2242647","5.8188","0.0009","10.4579","0.0016","17.468","0.003","99.186","0.008","99.112","0.008","99.95","0.008","1014.5","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-2,3,5,6,2',3',5',6'-Octafluoro-4,4'-azinodibenzoic acid ethanol disolvate","","- C18 H14 F8 N2 O6 -","- C18 H14 F8 N2 O6 -","- C36 H28 F16 N4 O12 -","2","1","WM5460","Elkin, Igor; Maris, Thierry; Hildgen, Patrice; Barrett, Christopher J.","Crystal structures of the solvent-free and ethanol disolvate forms of 4,4'-(diazenediyl)bis(2,3,5,6-tetrafluorobenzoic acid) exemplifying self-stabilized azobenzene <i>cis</i>-configurations","Acta Crystallographica Section E","2018","74","10","1486","1490","10.1107/S2056989018012781","","x-ray","1.34139","GaKα","","0.1159","0.093","","","0.2654","0.2884","","","","","","1.067","","","","has coordinates,has Fobs","211171","2020-10-21","18:00:00",""
"2242648","21.7297","0.0016","6.5797","0.0005","10.2247","0.0008","90","","100.058","0.004","90","","1439.41","0.19","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-2,3,5,6,2',3',5',6'-Octafluoro-4,4'-azinodibenzoic acid","","- C14 H2 F8 N2 O4 -","- C14 H2 F8 N2 O4 -","- C56 H8 F32 N8 O16 -","4","0.5","WM5460","Elkin, Igor; Maris, Thierry; Hildgen, Patrice; Barrett, Christopher J.","Crystal structures of the solvent-free and ethanol disolvate forms of 4,4'-(diazenediyl)bis(2,3,5,6-tetrafluorobenzoic acid) exemplifying self-stabilized azobenzene <i>cis</i>-configurations","Acta Crystallographica Section E","2018","74","10","1486","1490","10.1107/S2056989018012781","","x-ray","1.34139","GaKα","","0.0679","0.0568","","","0.1574","0.1712","","","","","","1.061","","","","has coordinates,has Fobs","211171","2020-10-21","18:00:00",""
"2242649","6.5507","0.0002","7.2523","0.0002","15.5478","0.0004","90","","96.737","0.003","90","","733.54","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Hydroxy-4-methylbenzaldehyde oxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","QM2128","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James; Low, John Nicolson","Different classical hydrogen-bonding patterns in three salicylaldoxime derivatives, 2-HO-4-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = Me, OH and MeO)","Acta Crystallographica Section E","2018","74","10","1480","1485","10.1107/S2056989018013361","","x-ray","0.71075","MoKα","","0.0341","0.0322","","","0.098","0.0997","","","","","","1.084","","","","has coordinates,has Fobs","211172","2020-10-21","18:00:00",""
"2242650","3.7241","0.0001","8.6902","0.0002","20.757","0.0005","90","","92.501","0.002","90","","671.12","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dihydroxybenzaldehyde oxime","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","QM2128","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James; Low, John Nicolson","Different classical hydrogen-bonding patterns in three salicylaldoxime derivatives, 2-HO-4-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = Me, OH and MeO)","Acta Crystallographica Section E","2018","74","10","1480","1485","10.1107/S2056989018013361","","x-ray","0.71075","MoKα","","0.0409","0.0397","","","0.0915","0.0923","","","","","","0.861","","","","has coordinates,has Fobs","211172","2020-10-21","18:00:00",""
"2242651","9.3591","0.0013","6.2634","0.0007","13.626","0.0002","90","","108.636","0.016","90","","756.87","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-4-methoxybenzaldehyde oxime","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","QM2128","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James; Low, John Nicolson","Different classical hydrogen-bonding patterns in three salicylaldoxime derivatives, 2-HO-4-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = Me, OH and MeO)","Acta Crystallographica Section E","2018","74","10","1480","1485","10.1107/S2056989018013361","","x-ray","0.71075","MoKα","","0.0652","0.049","","","0.1447","0.1575","","","","","","1.005","","","","has coordinates,has Fobs","211172","2020-10-21","18:00:00",""
"2242652","31.4629","0.0012","20.2692","0.0007","15.3703","0.0011","90","","91.275","0.006","90","","9799.6","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(1,4-Dihydroxy)-2,3,4,5-(1,4-dioctyloxy)pillar[5]arene 1,2-dichloroethane solvent","","- C101 H162 Cl2 O10 -","- C101 H162 Cl2 O10 -","- C404 H648 Cl8 O40 -","4","0.5","DX2009","Al-Azemi, Talal F.; Vinodh, Mickey; Mohamod, Abdirahman A.; Alipour, Fatemeh H.","Encapsulated dichloroethane-mediated interlocked supramolecular polymeric assembly of A1/A2-dihydroxy-octyloxy pillar[5]arene 1,2-dichloroethane monosolvate","Acta Crystallographica Section E","2018","74","10","1471","1474","10.1107/S2056989018013415","","","0.71075","MoKα","","0.0698","0.0485","","","0.126","0.1366","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","211173","2020-10-21","18:00:00",""
"2242653","9.4897","0.0002","17.2533","0.0004","21.0921","0.0005","90","","90.4825","0.0013","90","","3453.26","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis(2',6'-diisopropoxy-[2,3'-bipyridin]-6-yl)benzene","","- C38 H42 N4 O4 -","- C38 H42 N4 O4 -","- C152 H168 N16 O16 -","4","1","","Park, Ki-Min; Moon, Suk-Hee; Kang, Youngjin","Crystal structure and Hirshfeld surface analysis of 1,2-bis(2',6'-diisopropoxy-[2,3'-bipyridin]-6-yl)benzene","Acta Crystallographica Section E","2018","74","10","1475","1479","10.1107/S2056989018013002","","","0.71073","MoKα","","0.0614","0.0481","","","0.1192","0.1297","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211174","2020-10-21","18:00:00",""
"2242654","7.08","0.002","13.017","0.004","12.093","0.003","90","","98.289","0.006","90","","1102.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>meso</i>-3,3'-(1,4-Phenylene)bis(2-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one)","","- C26 H24 N2 O2 S2 -","- C26 H24 N2 O2 S2 -","- C52 H48 N4 O4 S4 -","2","0.5","HB7772","Yennawar, Hemant P.; Moyer, Quentin J.; Silverberg, Lee J.","Crystal structure of <i>meso</i>-3,3'-(1,4-phenylene)bis(2-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one)","Acta Crystallographica Section E","2018","74","10","1497","1499","10.1107/S2056989018013397","","","0.71073","MoKα","","0.0761","0.056","","","0.138","0.1485","","","","","","1.018","","","","has coordinates,has Fobs","211228","2020-10-21","18:00:00",""
"2242655","8.542","0.002","9.5","0.003","11.521","0.003","100.315","0.006","98.456","0.006","103.336","0.006","877.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(3<i>H</i>-indol-2-yl)prop-2-en-1-one","","- C25 H17 N O -","- C25 H17 N O -","- C50 H34 N2 O2 -","2","1","HB7770","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structures, DFT studies and UV‒visible absorption spectra of two anthracenyl chalcone derivatives","Acta Crystallographica Section E","2018","74","10","1491","1496","10.1107/S2056989018013087","","","0.71073","MoKα","","0.1505","0.061","","","0.1397","0.1773","","","","","","1.009","","","","has coordinates,has Fobs","211229","2020-10-21","18:00:00",""
"2242656","12.6997","0.0007","11.8029","0.0007","18.3997","0.0009","90","","127.901","0.003","90","","2176.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(dimethylamino)naphthalen-1-yl]prop-2-en-1-one","","- C29 H23 N O -","- C29 H23 N O -","- C116 H92 N4 O4 -","4","1","HB7770","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structures, DFT studies and UV‒visible absorption spectra of two anthracenyl chalcone derivatives","Acta Crystallographica Section E","2018","74","10","1491","1496","10.1107/S2056989018013087","","","0.71073","MoKα","","0.1431","0.075","","","0.173","0.2219","","","","","","0.967","","","","has coordinates,has Fobs","211229","2020-10-21","18:00:00",""
"2242657","7.0094","0.0003","7.575","0.0003","10.6149","0.0005","70.945","0.004","78.748","0.004","89.901","0.004","521.32","0.04","120","1","120","","","","","","","","","5","P -1","-P 1","2","Nicotinamide‒telluric acid (1/1)","Pyridine-3-carboxamide‒telluric acid (1/1)","","- C6 H12 N2 O7 Te -","- C6 H12 N2 O7 Te -","- C12 H24 N4 O14 Te2 -","2","1","EB2012","Fábry, Jan","Pyridine-3-carboxamide‒telluric acid (1/1)","Acta Crystallographica Section E","2018","74","10","1521","1525","10.1107/S2056989018013579","","x-ray","0.71073","MoKα","","0.0135","0.0122","","","0.031","0.0317","","","","","","1.084","","","","has coordinates,has Fobs","211230","2020-10-21","18:00:00",""
"2242658","15.6963","0.0014","5.4121","0.0004","18.6224","0.0016","90","","119.609","0.006","90","","1375.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Bromo-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","RZ5241","Balasubramani, Kasthuri; Premkumar, Ganesan; Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Swu, Toka","Crystal structure, Hirshfeld surface analysis and HOMO‒LUMO analysis of (<i>E</i>)-4-bromo-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2018","74","10","1500","1503","10.1107/S2056989018013373","","","0.71073","MoKα","","0.0521","0.0321","","","0.0662","0.0732","","","","","","1.016","","","","has coordinates,has Fobs","211231","2020-10-21","18:00:00",""
"2242659","6.934","0.0004","12.1198","0.0007","19.2128","0.0011","99.859","0.005","90.647","0.005","90.247","0.005","1590.64","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Ammoniumylmethyl-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","","- C8 H13 Cl2 N3 O -","- C8 H13 Cl2 N3 O -","- C48 H78 Cl12 N18 O6 -","6","3","XU5941","Sen, Pinar; Kansiz, Sevgi; Dege, Necmi; Yildiz, S. Zeki; Tsapyuk, Galyna G.","Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmethyl)-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","Acta Crystallographica Section E","2018","74","10","1517","1520","10.1107/S205698901801335X","","","0.71073","MoKα","","0.0461","0.0351","","","0.0874","0.0916","","","","","","0.956","","","","has coordinates,has Fobs","211232","2020-10-21","18:00:00",""
"2242660","12.6628","0.0004","20.3304","0.0009","7.3838","0.0003","90","","104.895","0.003","90","","1837.01","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[(2-Ethoxynaphthalen-1-yl)methylidene]-5,6,7,8-tetrahydronaphthalen-1-amine","","- C23 H23 N O -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","1","XU5940","Kansiz, Sevgi; Macit, Mustafa; Dege, Necmi; Tsapyuk, Galyna G.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>-[(2-ethoxynaphthalen-1-yl)methylidene]-5,6,7,8-tetrahydronaphthalen-1-amine","Acta Crystallographica Section E","2018","74","10","1513","1516","10.1107/S2056989018013117","","","0.71073","MoKα","","0.1166","0.0805","","","0.2271","0.2554","","","","","","1.044","","","","has coordinates,has Fobs","211233","2020-10-21","18:00:00",""
"2242661","16.3222","0.0007","16.0137","0.0006","11.1284","0.0004","90","","110.26","0.0013","90","","2728.77","0.19","299","","299","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) thiocyanate","","- C6 H16 Co N7 O2 S2 -","- C6 H16 Co N7 O2 S2 -","- C48 H128 Co8 N56 O16 S16 -","8","1","","Ohba, Shigeru; Tsuchimoto, Masanobu; Kurachi, Saeko","Investigation of solid-state photochemical nitro‒nitrito linkage isomerization: crystal structures of <i>trans</i>-bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) salts: thiocyanate, chloride monohydrate, and perchlorate‒thiocyanate(0.75/0.25)","Acta Crystallographica Section E","2018","74","10","1526","1531","10.1107/S2056989018013634","","","0.71073","MoKα","","0.0571","0.0481","","","0.1386","0.173","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","211234","2020-10-21","18:00:00",""
"2242662","8.9059","0.0004","12.3302","0.0005","12.2915","0.0005","90","","92.295","0.002","90","","1348.67","0.1","301","","301","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) chloride monohydrate","","- C5 H18 Cl Co N6 O3 S -","- C5 H18 Cl Co N6 O3 S -","- C20 H72 Cl4 Co4 N24 O12 S4 -","4","1","","Ohba, Shigeru; Tsuchimoto, Masanobu; Kurachi, Saeko","Investigation of solid-state photochemical nitro‒nitrito linkage isomerization: crystal structures of <i>trans</i>-bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) salts: thiocyanate, chloride monohydrate, and perchlorate‒thiocyanate(0.75/0.25)","Acta Crystallographica Section E","2018","74","10","1526","1531","10.1107/S2056989018013634","","","0.71073","MoKα","","0.0384","0.0315","","","0.0989","0.1313","","","","","","0.981","","","","has coordinates,has Fobs","211234","2020-10-21","18:00:00",""
"2242663","11.3141","0.0006","16.2969","0.0007","16.1298","0.0007","90","","109.023","0.002","90","","2811.7","0.2","301","2","301","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>trans<i>-Bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) perchlorate‒thiocyanate(0.75/0.25)","","- C5.25 H16 Cl0.75 Co N6.25 O5 S1.25 -","- C5.25 H16 Cl0.75 Co N6.25 O5 S1.25 -","- C42 H128 Cl6 Co8 N50 O40 S10 -","8","2","","Ohba, Shigeru; Tsuchimoto, Masanobu; Kurachi, Saeko","Investigation of solid-state photochemical nitro‒nitrito linkage isomerization: crystal structures of <i>trans</i>-bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) salts: thiocyanate, chloride monohydrate, and perchlorate‒thiocyanate(0.75/0.25)","Acta Crystallographica Section E","2018","74","10","1526","1531","10.1107/S2056989018013634","","","0.71073","MoKα","","0.0837","0.0626","","","0.1697","0.2208","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","211234","2020-10-21","18:00:00",""
"2242664","10.907","0.002","6.1686","0.0012","19.885","0.004","90","","96.02","0.03","90","","1330.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenyl)-2-trichloromethyl-1,3-thiazolidin-4-one","","- C10 H7 Cl4 N O S -","- C10 H7 Cl4 N O S -","- C40 H28 Cl16 N4 O4 S4 -","4","1","","Nuriye, Ahmed; Yennawar, Hemant; Cannon, Kevin; Tierney, John","Crystal structures of two thiazolidinone derivatives bearing a trichloromethyl substituent at the 2-position","Acta Crystallographica Section E","2018","74","10","1509","1512","10.1107/S2056989018013257","","","0.71073","MoKα","","0.0414","0.0361","","","0.1028","0.1069","","","","","","0.997","","","","has coordinates","211235","2020-10-21","18:00:00",""
"2242665","6.1968","0.0013","9.578","0.002","10.854","0.002","103.135","0.004","91.319","0.003","99.239","0.003","618","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2-Trichloromethyl-3-phenyl-1,3-thiazolidin-4-one","","- C10 H8 Cl3 N O S -","- C10 H8 Cl3 N O S -","- C20 H16 Cl6 N2 O2 S2 -","2","1","","Nuriye, Ahmed; Yennawar, Hemant; Cannon, Kevin; Tierney, John","Crystal structures of two thiazolidinone derivatives bearing a trichloromethyl substituent at the 2-position","Acta Crystallographica Section E","2018","74","10","1509","1512","10.1107/S2056989018013257","","","0.71073","MoKα","","0.0423","0.0383","","","0.1141","0.1177","","","","","","1.009","","","","has coordinates","211235","2020-10-21","18:00:00",""
"2242666","11.1719","0.0002","16.426","0.0003","4.0249","0.0001","90","","90","","90","","738.61","0.03","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Methoxy-benzaldehyde oxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","QM2129","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson","Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns","Acta Crystallographica Section E","2018","74","11","1553","1560","10.1107/S2056989018014020","","x-ray","1.54178","CuKα","","0.033","0.0325","","","0.0877","0.088","","","","","","1.079","","","","has coordinates,has Fobs","211388","2020-10-21","18:00:00",""
"2242667","4.6775","0.0002","13.0996","0.0005","14.1984","0.0005","90","","90","","90","","869.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethoxy-benzaldehyde oxime","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","QM2129","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson","Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns","Acta Crystallographica Section E","2018","74","11","1553","1560","10.1107/S2056989018014020","","x-ray","1.54178","CuKα","","0.0658","0.058","","","0.1453","0.1512","","","","","","1.035","","","","has coordinates,has Fobs","211388","2020-10-21","18:00:00",""
"2242668","4.9441","0.0002","8.2188","0.0004","12.1308","0.0003","108.849","0.003","92.288","0.003","106.273","0.004","443.17","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dimethoxybenzaldehyde oxime","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C18 H22 N2 O6 -","2","1","QM2129","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson","Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns","Acta Crystallographica Section E","2018","74","11","1553","1560","10.1107/S2056989018014020","","x-ray","1.54178","CuKα","","0.0368","0.0347","","","0.0985","0.1009","","","","","","0.877","","","","has coordinates,has Fobs","211388","2020-10-21","18:00:00",""
"2242669","7.648","0.0001","21.338","0.0004","10.9421","0.0002","90","","90.555","0.002","90","","1785.59","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethoxybenzaldehyde oxime","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C72 H88 N8 O24 -","8","2","QM2129","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson","Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns","Acta Crystallographica Section E","2018","74","11","1553","1560","10.1107/S2056989018014020","","x-ray","0.71075","MoKα","","0.033","0.0308","","","0.0844","0.0861","","","","","","1.061","","","","has coordinates,has Fobs","211388","2020-10-21","18:00:00",""
"2242670","10.4996","0.0015","12.4896","0.0018","11.8128","0.0017","90","","107.936","0.005","90","","1473.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2,6-Dimethoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","LD2146","Faizi, Md. Serajul Haque; Lone, Mohamad Nadeem; Dege, Necmi; Malinkin, Sergey; Sliva, Tatiana Yu.","Crystal structure of (<i>E</i>)-2,6-dimethoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2018","74","11","1540","1542","10.1107/S2056989018013713","","","0.71073","MoKα","","0.0583","0.0441","","","0.1066","0.1157","","","","","","1.051","","","","has coordinates,has Fobs","211389","2020-10-21","18:00:00",""
"2242671","11.6136","0.0003","6.2403","0.0001","12.6875","0.0003","90","","104.385","0.001","90","","890.67","0.03","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","13-(<i>E</i>)-(2-Aminobenzylidene)parthenolide","(1a<i>R</i>,4<i>E</i>,7a<i>S</i>,8<i>E</i>,10a<i>S</i>,10b<i>R</i>)-8-(2-Aminobenzylidene)-1a,5-dimethyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-9(1a<i>H</i>)-one","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","SJ5564","Bommagani, Shobanbabu; Penthala, Narsihma R.; Parkin, Sean; Crooks, Peter A.","Crystal structure of 13-(<i>E</i>)-(2-aminobenzylidene)parthenolide","Acta Crystallographica Section E","2018","74","11","1543","1546","10.1107/S2056989018013622","","","1.54178","CuKα","","0.0322","0.0318","","","0.0837","0.0842","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","211390","2020-10-21","18:00:00",""
"2242672","13.956","0.0004","8.2829","0.0002","19.9532","0.0006","90","","95.475","0.001","90","","2295.99","0.11","190","2","190","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-(Thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","MW2138","Mishnev, Anatoly; Bisenieks, Egils; Mandrika, Ilona; Petrovska, Ramona; Kalme, Zenta; Bruvere, Imanta; Duburs, Gunars","Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester","Acta Crystallographica Section E","2018","74","11","1577","1579","10.1107/S2056989018014251","","","0.71073","MoKα","","0.1426","0.0648","","","0.1409","0.1664","","","","","","1.029","","","","has coordinates,has disorder","211458","2020-10-21","18:00:00",""
"2242673","7.6276","0.0006","11.09","0.001","17.116","0.002","96.95","0.01","99.49","0.01","106.08","0.01","1350.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-4-Chloro-<i>N</i>'-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate","","- C9 H10 Cl N3 O4 S2 -","- C9 H10 Cl N3 O4 S2 -","- C36 H40 Cl4 N12 O16 S8 -","4","2","RZ5243","Pai, Nikhila; Foro, Sabine; Thimme Gowda, B.","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-chloro-<i>N</i>'-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate","Acta Crystallographica Section E","2018","74","11","1569","1573","10.1107/S2056989018013658","","","0.71073","MoKα","","0.0896","0.0576","","","0.1442","0.1607","","","","","","1.053","","","","has coordinates,has Fobs","211459","2020-10-21","18:00:00",""
"2242674","9.162","0.0002","9.162","0.0002","11.0736","0.0003","90","","90","","120","","805.01","0.03","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","Tricadmium orthotellurate(VI)","","- Cd3 O6 Te -","- Cd3 O6 Te -","- Cd18 O36 Te6 -","6","0.333333","VN2137","Weil, Matthias; Veyer, Théo","A new form of Cd~3~TeO~6~ revealing dimorphism","Acta Crystallographica Section E","2018","74","11","1561","1564","10.1107/S2056989018014214","","","0.71073","MoKα","","0.0263","0.0234","","","0.0451","0.0456","","","","","","1.286","","","","has coordinates,has Fobs","211460","2020-10-21","18:00:00",""
"2242675","5.8354","0.0005","16.5123","0.0014","15.133","0.0012","90","","93.837","0.002","90","","1454.9","0.2","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-Isopropyl-<i>N</i>-(phenyl)phenylglyoxylamide","2-Oxo-<i>N</i>,2-diphenyl-<i>N</i>-(propan-2-yl)acetamide","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","IS5500","Miyamoto, Hisakazu; Yamauchi, Genta; Ueno, Takuya; Uekusa, Hidehiro","Crystal structure of <i>N</i>-isopropyl-<i>N</i>-(phenyl)phenylglyoxylamide","Acta Crystallographica Section E","2018","74","11","1574","1576","10.1107/S2056989018013762","","","0.71075","MoKα","","0.068","0.0543","","","0.1349","0.1429","","","","","","1.126","","","","has coordinates,has Fobs","211461","2020-10-21","18:00:00",""
"2242676","8.654","0.005","10.923","0.006","10.964","0.005","85.85","0.02","82.38","0.02","74.57","0.03","989.5","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[Bis(1-methyl-1<i>H</i>-indol-3-yl)methyl]benzoic acid","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","HB7773","Sapari, Suhaila; Wong, Sheryn; Ngatiman, Mohammad Fadzlee; Misral, Huda; Hasbullah, Siti Aishah","Crystal structure and Hirshfeld analysis of 2-[bis(1-methyl-1<i>H</i>-indol-3-yl)methyl]benzoic acid","Acta Crystallographica Section E","2018","74","11","1580","1583","10.1107/S2056989018014160","","","0.71076","MoKα","","0.1194","0.0692","","","0.1621","0.1904","","","","","","1.032","","","","has coordinates,has Fobs","211492","2020-10-21","18:00:00",""
"2242677","11.4519","0.0003","9.237","0.0003","11.8727","0.0004","90","","90.475","0.003","90","","1255.87","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3a<i>R</i>*,7a<i>S</i>*)-2-(2,6-Dioxopiperidin-3-yl)hexahydro-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","LH5881","Hijji, Yousef; Benjamin, Ellis; Jasinski, Jerry P.; Butcher, Ray J.","Crystal structure of the thalidomide analog (3a<i>R</i>*,7a<i>S</i>*)-2-(2,6-dioxopiperidin-3-yl)hexahydro-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2018","74","11","1595","1598","10.1107/S2056989018014317","","","1.54178","CuKα","","0.0674","0.0663","","","0.2053","0.2076","","","","","","1.187","","","","has coordinates,has Fobs","211493","2020-10-21","18:00:00",""
"2242678","14.835","0.007","6.453","0.002","28","0.011","90","","93.505","0.01","90","","2675.4","1.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-(1<i>H</i>-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one hemihydrate","","- C17 H13 N2 O3.5 -","- C17 H13 N2 O3.5 -","- C136 H104 N16 O28 -","8","1","LH5883","Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana","Crystal structure and optical spectroscopic analyses of (<i>E</i>)-3-(1<i>H</i>-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one hemihydrate","Acta Crystallographica Section E","2018","74","11","1589","1594","10.1107/S2056989018014329","","","0.71073","MoKα","","0.1274","0.061","","","0.1419","0.1898","","","","","","1.074","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2242679","8.7661","0.0002","11.2908","0.0003","17.5089","0.0004","90","","96.021","0.001","90","","1723.41","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Crystal structure and Hirshfeld surface analysis of dimethyl (3a<i>S</i>,6<i>R</i>,6a<i>S</i>,7<i>S</i>)-2-(2,2,2-trifluoroacetyl)-2,3-dihydro-1<i>H</i>,6<i>H</i>,7<i>H</i>-3a,6:7,9a-diepoxybenzo[<i>de</i>]isoquinoline-3a^1^,6a-dicarboxylate, dimethyl (3a<i>S</i>,6<i>R</i>,6a<i>S</i>,7<i>S</i>)-2-(2,2,2-trifluoroacetyl)-2,3-dihydro-1<i>H</i>,6<i>H</i>,7<i>H</i>-3a,6:7,9a-diepoxybenzo[<i>de</i>]isoquinoline-3a^1^,6a-dicarboxylate","","- C18 H16 F3 N O7 -","- C18 H16 F3 N O7 -","- C72 H64 F12 N4 O28 -","4","1","WM5463","Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A.; Dorovatovskii, Pavel V.; Guliyeva, Narmina A.; Panahova, Humay M.","Crystal structure and Hirshfeld surface analysis of dimethyl (3a<i>S</i>,6<i>R</i>,6a<i>S</i>,7<i>S</i>)-2-(2,2,2-trifluoroacetyl)-2,3-dihydro-1<i>H</i>,6<i>H</i>,7<i>H</i>-3a,6:7,9a-diepoxybenzo[<i>de</i>]isoquinoline-3a^1^,6a-dicarboxylate","Acta Crystallographica Section E","2018","74","11","1599","1604","10.1107/S2056989018014305","","","0.71073","MoKα","","0.0518","0.0364","","","0.0834","0.0908","","","","","","1.011","","","","has coordinates,has Fobs","211563","2020-10-21","18:00:00",""
"2242680","5.0922","0.0001","10.145","0.0002","8.195","0.0002","90","","103.834","0.002","90","","411.076","0.016","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Asparaginium chloride monohydrate","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C8 H22 Cl2 N4 O8 -","2","1","","de Moraes, Lygia S.; Kennedy, Alan R.; Logan, Charlie R.","Crystal structures of three halide salts of <small>L</small>-asparagine: an isostructural series","Acta Crystallographica Section E","2018","74","11","1619","1623","10.1107/S2056989018014603","","","0.71073","MoKα","","0.0225","0.0216","","","0.0573","0.0579","","","","","","1.073","","","","has coordinates,has Fobs","211564","2020-10-21","18:00:00",""
"2242681","5.2167","0.0002","10.2784","0.0005","8.3063","0.0004","90","","103.606","0.005","90","","432.88","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Asparaginium bromide monohydrate","","- C4 H11 Br N2 O4 -","- C4 H11 Br N2 O4 -","- C8 H22 Br2 N4 O8 -","2","1","","de Moraes, Lygia S.; Kennedy, Alan R.; Logan, Charlie R.","Crystal structures of three halide salts of <small>L</small>-asparagine: an isostructural series","Acta Crystallographica Section E","2018","74","11","1619","1623","10.1107/S2056989018014603","","","0.71073","MoKα","","0.0305","0.0276","","","0.0602","0.0623","","","","","","1.031","","","","has coordinates,has Fobs","211564","2020-10-21","18:00:00",""
"2242682","5.3668","0.0005","10.6744","0.0008","8.4532","0.0006","90","","102.772","0.008","90","","472.28","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Asparaginium iodide monohydrate","","- C4 H11 I N2 O4 -","- C4 H11 I N2 O4 -","- C8 H22 I2 N4 O8 -","2","1","","de Moraes, Lygia S.; Kennedy, Alan R.; Logan, Charlie R.","Crystal structures of three halide salts of <small>L</small>-asparagine: an isostructural series","Acta Crystallographica Section E","2018","74","11","1619","1623","10.1107/S2056989018014603","","","0.71073","MoKα","","0.0325","0.0286","","","0.0553","0.0581","","","","","","1.02","","","","has coordinates,has Fobs","211564","2020-10-21","18:00:00",""
"2242683","16.136","0.0014","4.1745","0.0003","21.468","0.002","90","","95.026","0.007","90","","1440.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-{[2-(5-bromo-2-nitrophenyl)hydrazin-1-ylidene]methyl}-5-fluorophenol","","- C13 H8 Br2 F N3 O3 -","- C13 H8 Br2 F N3 O3 -","- C52 H32 Br8 F4 N12 O12 -","4","1","XU5944","Yaman, Mavise; Aydemir, Ercan; Dege, Necmi; Agar, Erbil; Iskenderov, Turganbay S.","Synthesis, crystallographic analysis and Hirshfeld surface analysis of 4-bromo-2-{[2-(5-bromo-2-nitrophenyl)hydrazin-1-ylidene]methyl}-5-fluorophenol","Acta Crystallographica Section E","2018","74","11","1628","1632","10.1107/S2056989018014627","","","0.71073","MoKα","","0.1306","0.0506","","","0.0806","0.098","","","","","","0.839","","","","has coordinates,has Fobs","217635","2020-10-21","18:00:00",""
"2242684","12.6776","0.0009","7.9675","0.0006","15.1932","0.0011","90","","95.7559","0.0019","90","","1526.91","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium (2<i>S</i>)-2-(6-methoxynaphthalen-2-yl)propanoate methanol sesquisolvate","","- C15.5 H19 Na O4.5 -","- C15.5 H19 Na O4.5 -","- C62 H76 Na4 O18 -","4","2","RZ5244","Kriegner, Helene; Weil, Matthias; Jones, Matthew J.","The methanol sesquisolvate of sodium naproxen","Acta Crystallographica Section E","2018","74","11","1624","1627","10.1107/S2056989018014652","","","0.71073","MoKα","","0.0474","0.0388","","","0.0982","0.1047","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","211566","2020-10-21","18:00:00",""
"2242685","10.4311","0.0003","11.0892","0.0003","12.8868","0.0003","90","","90","","90","","1490.65","0.07","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>R</i>)-4-(4-Hydroxyphenyl)-2,2,4-trimethylthiachroman-1-oxide, ThiaDianin's sulfoxide","(<i>R</i>)-4-(4-Hydroxyphenyl)-2,2,4-trimethyl-3<i>H</i>-1λ^4^-benzothiopyran-1-one","","- C18 H20 O2 S -","- C18 H20 O2 S -","- C72 H80 O8 S4 -","4","1","KQ2023","Gall, James H.; White, J. Derek; MacNicol, David D.; Frampton, Christopher S.","The first spontaneous resolution of a sulfoxide: Dianin's compound analogue, (<i>R</i>)-4-(4-hydroxyphenyl)-2,2,4-trimethylthiachroman-1-oxide","Acta Crystallographica Section E","2018","74","11","1633","1636","10.1107/S2056989018014366","","","1.54184","CuKα","","0.0291","0.0283","","","0.0742","0.075","","","","","","1.03","","","","has coordinates,has Fobs","211567","2020-10-21","18:00:00",""
"2242686","14.949","0.002","10.02","0.001","9.641","0.001","90","","104.27","0.01","90","","1399.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-Benzylidene-4-chlorobenzenesulfonohydrazide","","- C13 H11 Cl N2 O2 S -","- C13 H11 Cl N2 O2 S -","- C52 H44 Cl4 N8 O8 S4 -","4","1","SU5455","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzylidene-4-chlorobenzenesulfonohydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methylbenzylidene)benzenesulfonohydrazide derivatives","Acta Crystallographica Section E","2018","74","11","1613","1618","10.1107/S2056989018014500","","","0.71073","MoKα","","0.186","0.0624","","","0.0869","0.1128","","","","","","0.907","","","","has coordinates,has Fobs","211568","2020-10-21","18:00:00",""
"2242687","15.034","0.002","10.18","0.001","9.8119","0.0009","90","","106.34","0.01","90","","1441","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Chloro-<i>N</i>'-(2-methylbenzylidene)benzenesulfonohydrazide","","- C14 H13 Cl N2 O2 S -","- C14 H13 Cl N2 O2 S -","- C56 H52 Cl4 N8 O8 S4 -","4","1","SU5455","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzylidene-4-chlorobenzenesulfonohydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methylbenzylidene)benzenesulfonohydrazide derivatives","Acta Crystallographica Section E","2018","74","11","1613","1618","10.1107/S2056989018014500","","","0.71073","MoKα","","0.1006","0.067","","","0.1779","0.1953","","","","","","1.071","","","","has coordinates,has Fobs","211568","2020-10-21","18:00:00",""
"2242688","9.406","0.001","5.8353","0.0006","26.93","0.002","90","","99.621","0.009","90","","1457.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Chloro-<i>N</i>'-(4-methylbenzylidene)benzenesulfonohydrazide","","- C14 H13 Cl N2 O2 S -","- C14 H13 Cl N2 O2 S -","- C56 H52 Cl4 N8 O8 S4 -","4","1","SU5455","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzylidene-4-chlorobenzenesulfonohydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methylbenzylidene)benzenesulfonohydrazide derivatives","Acta Crystallographica Section E","2018","74","11","1613","1618","10.1107/S2056989018014500","","","0.71073","MoKα","","0.0569","0.0403","","","0.0871","0.0947","","","","","","1.048","","","","has coordinates,has Fobs","211568","2020-10-21","18:00:00",""
"2242689","28.446","0.003","8.2572","0.0008","32.262","0.003","90","","120.602","0.001","90","","6522.4","1.1","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,15-Dihexyl-5,15-dihydrobenzo[2,1-<i>b</i>:4,3-<i>c</i>']dicarbazole hexane 0.375-solvate","","- C40.25 H45.26 N2 -","- C40.253 H45.257 N2 -","- C322.024 H362.056 N16 -","8","2","EX2015","Zhang, Dingchao; Shi, Longqiang; Liu, Zhi; Li, Li; Hu, Zhenhao; Cui, Deliang; Yang, Jing","Crystal structure of 5,15-dihexyl-5,15-dihydrobenzo[2,1-<i>b</i>:4,3-<i>c</i>']dicarbazole hexane 0.375-solvate","Acta Crystallographica Section E","2018","74","11","1605","1608","10.1107/S2056989018014512","","","0.71069","MoKα","","0.0852","0.0649","","","0.1751","0.1908","","","","","","1.052","","","","has coordinates,has Fobs","211569","2020-10-21","18:00:00",""
"2242690","8.1971","0.0014","13.942","0.002","7.4148","0.0011","90","","91.588","0.006","90","","847.1","0.2","301","","301","","","","","","","","","5","C 1 m 1","C -2y","8","","<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(nitro)(pyridine-κ<i>N</i>)cobalt(III)","","- C15 H19 Co N2 O6 -","- C15 H19 Co N2 O6 -","- C30 H38 Co2 N4 O12 -","2","0.5","","Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","11","1637","1642","10.1107/S2056989018014731","","","0.71073","MoKα","","0.0475","0.0396","","","0.0753","0.0831","","","","","","1.116","","","","has coordinates,has Fobs","211632","2020-10-21","18:00:00",""
"2242691","8.2459","0.0009","13.9603","0.0014","7.9222","0.0008","90","","96.997","0.004","90","","905.17","0.16","301","","301","2","","","","","","","","5","C 1 m 1","C -2y","8","","<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-methylpyridine-κ<i>N</i>)(nitro)cobalt(III)","","- C16 H21 Co N2 O6 -","- C16 H21 Co N2 O6 -","- C32 H42 Co2 N4 O12 -","2","0.5","","Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","11","1637","1642","10.1107/S2056989018014731","","","0.71073","MoKα","","0.0363","0.0309","","","0.0658","0.0737","","","","","","1.132","","","","has coordinates,has Fobs","211632","2020-10-21","18:00:00",""
"2242692","12.3811","0.0004","14.0483","0.0005","10.6443","0.0003","90","","90","","90","","1851.4","0.1","301","","301","","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(3-hydroxypyridine-κ<i>N</i>)(nitro)cobalt(III) monohydrate","","- C15 H21 Co N2 O8 -","- C15 H21 Co N2 O8 -","- C60 H84 Co4 N8 O32 -","4","0.5","","Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","11","1637","1642","10.1107/S2056989018014731","","","0.71073","MoKα","","0.049","0.0318","","","0.0656","0.0874","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","211632","2020-10-21","18:00:00",""
"2242693","7.2061","0.0015","10.237","0.002","10.694","0.002","95.356","0.003","92.867","0.003","100.291","0.003","771","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-{4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","","- C16 H17 N5 O3 -","- C16 H17 N5 O3 -","- C32 H34 N10 O6 -","2","1","XU5945","Abad, Nadeem; Ramli, Youssef; Hökelek, Tuncer; Sebbar, Nada Kheira; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of ethyl 2-{4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","Acta Crystallographica Section E","2018","74","11","1648","1652","10.1107/S2056989018014561","","","0.71073","MoKα","","0.0819","0.0467","","","0.1413","0.1514","","","","","","1.012","","","","has coordinates,has Fobs","211633","2020-10-21","18:00:00",""
"2242694","36.27","0.007","5.3986","0.0011","18.62","0.004","90","","103.34","0.03","90","","3547.6","1.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1<i>H</i>-imidazol-3-ium chloride","","- C18 H24 Cl N3 O -","- C18 H24 Cl N3 O -","- C144 H192 Cl8 N24 O8 -","8","1","","Zende, Vidya; Girase, Tejpalsingh Ramsingh; Chrysochos, Nicolas; Kapdi, Anant Ramakant; Schulzke, Carola","Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1<i>H</i>-imidazol-3-ium chloride","Acta Crystallographica Section E","2018","74","11","1665","1668","10.1107/S2056989018014792","","","0.71073","MoKα","","0.1106","0.0661","","","0.168","0.1992","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211682","2020-10-21","18:00:00",""
"2242695","9.1132","0.0006","12.6676","0.0009","12.8164","0.0009","91.344","0.001","99.537","0.001","96.34","0.001","1448.87","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-1-Butyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","2","XU5946","Chkirate, Karim; Sebbar, Nada Kheira; Hökelek, Tuncer; Krishnan, Damodaran; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of (4<i>Z</i>)-1-butyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","Acta Crystallographica Section E","2018","74","11","1669","1673","10.1107/S2056989018014779","","","0.71073","MoKα","","0.0579","0.0454","","","0.1261","0.1328","","","","","","1.083","","","","has coordinates,has Fobs","211683","2020-10-21","18:00:00",""
"2242696","17.6701","0.001","30.9809","0.0019","10.1452","0.0005","90","","90","","90","","5553.8","0.5","153","2","153","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichloridobis(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylprop-2-ynamidine)manganese(II)","","- C24 H40 Cl2 Mn N4 -","- C24 H40 Cl2 Mn N4 -","- C192 H320 Cl16 Mn8 N32 -","8","0.5","ZL2740","Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes","Acta Crystallographica Section E","2018","74","11","1658","1664","10.1107/S2056989018014895","","","0.71073","MoKα","","0.0312","0.0261","","","0.0532","0.0543","","","","","","0.981","","","","has coordinates,has Fobs","211684","2020-10-21","18:00:00",""
"2242697","17.5703","0.0009","30.9167","0.0012","10.111","0.0006","90","","90","","90","","5492.5","0.5","153","2","153","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichloridobis(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylprop-2-ynamidine)iron(II)","","- C24 H40 Cl2 Fe N4 -","- C24 H40 Cl2 Fe N4 -","- C192 H320 Cl16 Fe8 N32 -","8","0.5","","Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes","Acta Crystallographica Section E","2018","74","11","1658","1664","10.1107/S2056989018014895","","","0.71073","MoKα","","0.0393","0.0331","","","0.0722","0.0741","","","","","","1.014","","","","has coordinates,has Fobs","211684","2020-10-21","18:00:00",""
"2242698","13.905","0.007","12.5","0.006","20.742","0.011","90","","92.24","0.04","90","","3602","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(<i>N</i>,<i>N</i>'-dicyclohexyl-3-cyclopropylprop-2-ynamidine)iron(II)","","- C36 H56 Cl2 Fe N4 -","- C36 H56 Cl2 Fe N4 -","- C144 H224 Cl8 Fe4 N16 -","4","1","","Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes","Acta Crystallographica Section E","2018","74","11","1658","1664","10.1107/S2056989018014895","","","0.71073","MoKα","","0.0393","0.033","","","0.0721","0.0745","","","","","","1.139","","","","has coordinates,has Fobs","211684","2020-10-21","18:00:00",""
"2242699","13.8898","0.0003","12.5574","0.0003","20.8394","0.0005","90","","91.717","0.002","90","","3633.17","0.15","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(<i>N</i>,<i>N</i>'-dicyclohexyl-3-cyclopropylprop-2-ynamidine)cobalt(II)","","- C36 H56 Cl2 Co N4 -","- C36 H56 Cl2 Co N4 -","- C144 H224 Cl8 Co4 N16 -","4","1","","Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes","Acta Crystallographica Section E","2018","74","11","1658","1664","10.1107/S2056989018014895","","","0.71073","MoKα","","0.0474","0.0352","","","0.0788","0.0831","","","","","","1.025","","","","has coordinates,has Fobs","211684","2020-10-21","18:00:00",""
"2242700","9.0166","0.0001","9.0166","0.0001","23.1158","0.0003","90","","90","","90","","1879.29","0.04","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Bis(diisopropylammonium) molybdate","Bis(diisopropylazanium tetraoxomolybdate","","- C12 H32 Mo N2 O4 -","- C12 H32 Mo N2 O4 -","- C48 H128 Mo4 N8 O16 -","4","0.5","WM5465","Sarr, Bougar; Mbaye, Abdou; Diop, Cheikh Abdoul Khadir; Melin, Frederic; Hellwig, Petra; Sidibé, Mamadou; Rousselin, Yoann","Crystal structure of bis(diisopropylammonium) molybdate","Acta Crystallographica Section E","2018","74","11","1682","1685","10.1107/S2056989018014755","","","0.71073","MoKα","","0.0194","0.0186","","","0.0483","0.0488","","","","","","1.12","","","","has coordinates","211742","2020-10-21","18:00:00",""
"2242701","10.4731","0.0007","7.4612","0.0005","18.4906","0.0014","90","","94.201","0.006","90","","1441.01","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-[(4,7-Dimethylquinolin-2-yl)methylidene]semicarbazide dihydrate","","- C13 H18 N4 O3 -","- C13 H18 N4 O3 -","- C52 H72 N16 O12 -","4","1","XU5942","Aydemir, Ercan; Kansiz, Sevgi; Dege, Necmi; Genc, Hasan; Gaidai, Snizhana V.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[(4,7-dimethylquinolin-2-yl)methylidene]semicarbazide dihydrate","Acta Crystallographica Section E","2018","74","11","1674","1677","10.1107/S2056989018014925","","","0.71073","MoKα","","0.0961","0.0427","","","0.0865","0.0989","","","","","","0.857","","","","has coordinates,has Fobs","211744","2020-10-21","18:00:00",""
"2242702","11.0462","0.0004","16.1813","0.0006","14.3914","0.0005","90","","98.143","0.001","90","","2546.41","0.16","100","2","100","2","","","","","","","Synthesis","7","P 1 21/n 1","-P 2yn","14","bis(dppe))nickel(II) bis(triflate)","Bis[1,2-bis(diphenylphosphanyl)ethane]nickel(II) bis(trifluoromethanesulfonate)","","- C54 H48 F6 Ni O6 P4 S2 -","- C54 H48 F6 Ni O6 P4 S2 -","- C108 H96 F12 Ni2 O12 P8 S4 -","2","0.5","HB7775","Cano-Benítez, Cristian A.; Metta-Magaña, Alejandro J.; Duarte-Ruiz, Álvaro","Crystal structure at 100K of bis[1,2-bis(diphenylphosphanyl)ethane]nickel(II) bis(trifluoromethanesulfonate): a possible negative thermal expansion molecular material","Acta Crystallographica Section E","2018","74","11","1678","1681","10.1107/S2056989018014846","","x-ray","0.71073","MoKα","","0.0538","0.0402","","","0.0886","0.0989","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","211745","2020-10-21","18:00:00",""
"2242703","10.984","0.008","16.087","0.012","14.375","0.01","90","","97.996","0.013","90","","2515","3","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","bis(dppe))nickel(II) bis(triflate)","bis([1,2-bis(diphenylphosphino)ethane])nickel(II) bis(trifluoromethanesulfonate)","","- C54 H48 F6 Ni O6 P4 S2 -","- C54 H48 F6 Ni O6 P4 S2 -","- C108 H96 F12 Ni2 O12 P8 S4 -","2","0.5","","Cano-Benítez, Cristian A.; Metta-Magaña, Alejandro J.; Duarte-Ruiz, Álvaro","Crystal structure at 100K of bis[1,2-bis(diphenylphosphanyl)ethane]nickel(II) bis(trifluoromethanesulfonate): a possible negative thermal expansion molecular material","Acta Crystallographica Section E","2018","74","11","1678","1681","10.1107/S2056989018014846","","","0.71073","MoKα","","0.1098","0.0565","","","0.1149","0.1478","","","","","","1.016","","","","has coordinates,has disorder","211746","2020-10-21","18:00:00",""
"2242704","13.5685","0.0003","11.0227","0.0001","24.1575","0.0005","90","","100.142","0.002","90","","3556.58","0.11","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{μ-1,3-bis[2-(diphenylphosphanyl)ethyl]-1<i>H</i>-imidazole-κ^2^<i>P</i>:<i>P</i>'}bis[trichloridoiron(III)]","","- C62 H62 Cl6 Fe2 N4 P4 -","- C62 H62 Cl6 Fe2 N4 P4 -","- C124 H124 Cl12 Fe4 N8 P8 -","2","0.5","WM5467","Stucke, Nadja; Näther, Christian; Tuczek, Felix","Crystal structure of [{FeCl~3~}~2~(μ-PC^H^P)~2~] [PC^H^P = 1,3-bis(2-diphenylphosphanylethyl)-3<i>H</i>-imidazol-1-ium] with an unknown solvent","Acta Crystallographica Section E","2018","74","11","1686","1690","10.1107/S205698901801472X","","","0.71073","MoKα","","0.0392","0.0358","","","0.0854","0.0872","","","","","","1.067","","","","has coordinates,has Fobs","211747","2020-10-21","18:00:00",""
"2242705","9.582","0.013","11.444","0.015","26.69","0.04","90","","90","","90","","2927","7","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Cyclohexyl-2-(2-nitrophenyl)-1,3-thiazolidin-4-one","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C120 H144 N16 O24 S8 -","8","1","HB7781","Yennawar, Hemant P.; Silverberg, Lee J.; Cannon, Kevin; Gandla, Deepa; Kondaveeti, Sandeep K.; Zdilla, Michael J.; Nuriye, Ahmed","Crystal structures of two 1,3-thiazolidin-4-one derivatives featuring sulfide and sulfone functional groups","Acta Crystallographica Section E","2018","74","12","1695","1699","10.1107/S2056989018015098","","","0.71073","MoKα","","0.0671","0.0528","","","0.127","0.1353","","","","","","1.076","","","","has coordinates,has Fobs","211853","2020-10-21","18:00:00",""
"2242706","7.114","0.002","9.401","0.003","12.038","0.003","94.808","0.005","92.11","0.005","107.198","0.005","764.8","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","1-Cyclohexyl-2-(2-nitrophenyl)-1,3-thiazolidin-4-one 1,1-dioxide","","- C15 H18 N2 O5 S -","- C15 H18 N2 O5 S -","- C30 H36 N4 O10 S2 -","2","1","","Yennawar, Hemant P.; Silverberg, Lee J.; Cannon, Kevin; Gandla, Deepa; Kondaveeti, Sandeep K.; Zdilla, Michael J.; Nuriye, Ahmed","Crystal structures of two 1,3-thiazolidin-4-one derivatives featuring sulfide and sulfone functional groups","Acta Crystallographica Section E","2018","74","12","1695","1699","10.1107/S2056989018015098","","","0.71073","MoKα","","0.0325","0.0303","","","0.0798","0.0815","","","","","","1.045","","","","has coordinates,has Fobs","211853","2020-10-21","18:00:00",""
"2242707","4.9498","0.0006","22.34","0.003","7.0003","0.0009","90","","104.4","0.01","90","","749.76","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-4-nitrobenzenesulfonohydrazide","","- C13 H10 Cl N3 O4 S -","- C13 H10 Cl N3 O4 S -","- C26 H20 Cl2 N6 O8 S2 -","2","1","SU5460","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structures and the Hirshfeld surface analysis of <i>(E)</i>-4-nitro-<i>N</i>'-(<i>o</i>-chloro, <i>o</i>- and <i>p</i>-methylbenzylidene)benzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1710","1716","10.1107/S2056989018015207","","","0.71073","MoKα","","0.0355","0.0304","","","0.0753","0.0778","","","","","","1.008","","","","has coordinates,has Fobs","211854","2020-10-21","18:00:00",""
"2242708","7.19","0.001","15.288","0.002","13.596","0.002","90","","97.68","0.02","90","","1481.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(2-Methylbenzylidene)-4-nitrobenzenesulfonohydrazide","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C56 H52 N12 O16 S4 -","4","1","SU5460","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structures and the Hirshfeld surface analysis of <i>(E)</i>-4-nitro-<i>N</i>'-(<i>o</i>-chloro, <i>o</i>- and <i>p</i>-methylbenzylidene)benzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1710","1716","10.1107/S2056989018015207","","","0.71073","MoKα","","0.048","0.0383","","","0.0911","0.0966","","","","","","1.045","","","","has coordinates,has Fobs","211854","2020-10-21","18:00:00",""
"2242709","22.589","0.002","5.4424","0.0004","12.718","0.0009","90","","92.146","0.006","90","","1562.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(4-Methylbenzylidene)-4-nitrobenzenesulfonohydrazide monohydrate","","- C14 H15 N3 O5 S -","- C14 H15 N3 O5 S -","- C56 H60 N12 O20 S4 -","4","1","SU5460","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structures and the Hirshfeld surface analysis of <i>(E)</i>-4-nitro-<i>N</i>'-(<i>o</i>-chloro, <i>o</i>- and <i>p</i>-methylbenzylidene)benzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1710","1716","10.1107/S2056989018015207","","","0.71073","MoKα","","0.0524","0.0343","","","0.0838","0.0916","","","","","","1.02","","","","has coordinates,has Fobs","211854","2020-10-21","18:00:00",""
"2242710","10.4851","0.0001","15.4106","0.0002","11.4557","0.0001","90","","103.853","0.0007","90","","1797.19","0.03","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-8-Benzoyl-1,1,3,3-tetramethyl-7-trifluoromethyl-5-thiaspiro[3.4]octan-2-one","","- C19 H21 F3 O2 S -","- C19 H21 F3 O2 S -","- C76 H84 F12 O8 S4 -","4","1","VM2212","Linden, Anthony; Mlostoń, Grzegorz; Grzelak, Paulina; Heimgartner, Heinz","Chemo- and regioselective [3~+~2]-cycloadditions of thiocarbonyl ylides: crystal structures of <i>trans</i>-8-benzoyl-1,1,3,3-tetramethyl-7-trifluoromethyl-5-thiaspiro[3.4]octan-2-one and <i>trans</i>-3-benzoyl-2,2-diphenyl-4-(trifluoromethyl)tetrahydrothiophene","Acta Crystallographica Section E","2018","74","12","1705","1709","10.1107/S2056989018015335","","","0.71073","MoKα","","0.0598","0.0428","","","0.103","0.1141","","","","","","1.057","","","","has coordinates,has Fobs","211855","2020-10-21","18:00:00",""
"2242711","7.4578","0.0001","17.6162","0.0003","14.5634","0.0002","90","","92.6805","0.0009","90","","1911.22","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-3-Benzoyl-2,2-diphenyl-4-(trifluoromethyl)tetrahydrothiophene","","- C24 H19 F3 O S -","- C24 H19 F3 O S -","- C96 H76 F12 O4 S4 -","4","1","VM2212","Linden, Anthony; Mlostoń, Grzegorz; Grzelak, Paulina; Heimgartner, Heinz","Chemo- and regioselective [3~+~2]-cycloadditions of thiocarbonyl ylides: crystal structures of <i>trans</i>-8-benzoyl-1,1,3,3-tetramethyl-7-trifluoromethyl-5-thiaspiro[3.4]octan-2-one and <i>trans</i>-3-benzoyl-2,2-diphenyl-4-(trifluoromethyl)tetrahydrothiophene","Acta Crystallographica Section E","2018","74","12","1705","1709","10.1107/S2056989018015335","","","0.71073","MoKα","","0.0737","0.0453","","","0.102","0.1178","","","","","","1.066","","","","has coordinates,has Fobs","211855","2020-10-21","18:00:00",""
"2242712","38.341","0.0003","11.2756","0.0001","19.3374","0.00016","90","","97.503","0.001","90","","8288.32","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2,2'-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-methoxypropenide) 0.776-hydrate","","- C46 H31.55 Fe N14 O2.78 -","- C46 H31.552 Fe N14 O2.776 -","- C368 H252.416 Fe8 N112 O22.208 -","8","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","1.54184","CuKα","","0.0405","0.0327","","","0.0775","0.081","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","211856","2020-10-21","18:00:00",""
"2242713","11.6644","0.0003","23.1692","0.0004","13.9599","0.0003","90","","97.202","0.002","90","","3742.96","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(2,2'-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(propylsulfanyl)propenide perchlorate","","- C40 H31 Cl Fe N10 O4 S -","- C40 H31 Cl Fe N10 O4 S -","- C160 H124 Cl4 Fe4 N40 O16 S4 -","4","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","0.71073","MoKα","","0.0909","0.0594","","","0.1451","0.1701","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","211856","2020-10-21","18:00:00",""
"2242714","11.6979","0.0004","25.7716","0.0007","14.1055","0.0004","90","","100.444","0.003","90","","4182","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(5,5'-dimethyl-2,2'-bipyridine)iron(II) 1,1,3,3-tetracyano-2-methoxypropenide tetrafluoridoborate ethanol 0.926-solvate","","- C45.85 H44.56 B F4 Fe N10 O1.93 -","- C45.852 H44.556 B F4 Fe N10 O1.926 -","- C183.408 H178.224 B4 F16 Fe4 N40 O7.704 -","4","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","0.71073","MoKα","","0.0993","0.0617","","","0.1057","0.1227","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","211856","2020-10-21","18:00:00",""
"2242715","11.5865","0.0003","25.5914","0.0005","14.4997","0.0003","90","","104.641","0.003","90","","4159.77","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(5,5'-dimethyl-2,2'-bipyridine)iron(II) 1,1,3,3-tetracyano-2-ethoxypropenide tetrafluoridoborate","","- C45 H41 B F4 Fe N10 O -","- C45 H41 B F4 Fe N10 O -","- C180 H164 B4 F16 Fe4 N40 O4 -","4","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","1.54184","CuKα","","0.09","0.0593","","","0.1439","0.162","","","","","","1.018","","","","has coordinates,has Fobs","211856","2020-10-21","18:00:00",""
"2242716","11.6027","0.0005","25.0774","0.001","14.7438","0.0006","90","","104.211","0.002","90","","4158.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(5,5'-dimethyl-2,2'-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(ethylsufanyl)propenide tetrafluoridoborate","","- C45 H41 B F4 Fe N10 S -","- C45 H41 B F4 Fe N10 S -","- C180 H164 B4 F16 Fe4 N40 S4 -","4","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","1.34139","GaKα","","0.0399","0.033","","","0.0818","0.0856","","","","","","1.04","","","","has coordinates,has Fobs","211856","2020-10-21","18:00:00",""
"2242717","11.6246","0.0005","14.2404","0.0006","14.3224","0.0006","65.34","0.002","76.04","0.003","87.571","0.003","2086.48","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Tris(5,5'-dimethyl-2,2'-bipyridine)iron(II) 1,1,3,3-tetracyano-2-propoxypropenide tetrafluoridoborate","","- C46 H43 B F4 Fe N10 O -","- C46 H43 B F4 Fe N10 O -","- C92 H86 B2 F8 Fe2 N20 O2 -","2","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","1.34139","GaKα","","0.0595","0.0447","","","0.1047","0.1106","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","211856","2020-10-21","18:00:00",""
"2242718","5.018","0.0004","14.6142","0.001","15.8882","0.0011","90","","105.563","0.003","90","","1122.43","0.14","180","1","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloranilic acid‒ethyleneurea (1/1)","2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone‒imidazolidin-2-one (1/1)","","- C9 H8 Cl2 N2 O5 -","- C9 H8 Cl2 N2 O5 -","- C36 H32 Cl8 N8 O20 -","4","1","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two hydrogen-bonded compounds of chloranilic acid‒ethyleneurea (1/1) and chloranilic acid‒hydantoin (1/2)","Acta Crystallographica Section E","2018","74","12","1727","1730","10.1107/S205698901801561X","","","0.71075","MoKα","","0.038","0.0333","","","0.0897","0.0917","","","","","","1.069","","","","has coordinates,has Fobs","211887","2020-10-21","18:00:00",""
"2242719","19.569","0.0008","5.18661","0.0001","16.6103","0.0003","90","","117.965","0.003","90","","1489.04","0.08","180","1","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Chloranilic acid‒hydantoin (1/2)","2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone‒imidazolidine-2,4-dione (1/2)","","- C12 H10 Cl2 N4 O8 -","- C12 H10 Cl2 N4 O8 -","- C48 H40 Cl8 N16 O32 -","4","0.5","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two hydrogen-bonded compounds of chloranilic acid‒ethyleneurea (1/1) and chloranilic acid‒hydantoin (1/2)","Acta Crystallographica Section E","2018","74","12","1727","1730","10.1107/S205698901801561X","","","0.71075","MoKα","","0.0395","0.0364","","","0.0984","0.0997","","","","","","1.081","","","","has coordinates,has Fobs","211887","2020-10-21","18:00:00",""
"2242720","16.9036","0.0017","21.004","0.002","9.6205","0.0009","90","","103.071","0.003","90","","3327.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[bis(ethylenedithio)tetrathiafulvalenium] tetrathiocyanatocuprate(II) bis[bis(ethylenedithio)tetrathiafulvalene]","","- C44 H32 Cu N4 S36 -","- C44 H32 Cu N4 S36 -","- C88 H64 Cu2 N8 S72 -","2","0.5","WM5468","Faulmann, Christophe; Cormary, Beno\?ît; Valade, Lydie; Jacob, Kane; de Caro, Dominique","A new compound in the BEDT-TTF family [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene] with a tetrathiocyanatocuprate(II) anion, (BEDT-TTF)~4~[Cu(NCS)~4~]","Acta Crystallographica Section E","2018","74","12","1755","1758","10.1107/S2056989018015293","","","0.71073","MoKα","","0.052","0.0321","","","0.0689","0.0775","","","","","","1.017","","","","has coordinates,has Fobs","211888","2020-10-21","18:00:00",""
"2242721","9.1478","0.0004","12.8195","0.0006","6.7459","0.0003","90","","104.202","0.003","90","","766.91","0.06","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Pyromellitic acid dianhydride‒naphthalene (1/1)","Pyromellitic acid dianhydride‒naphthalene (1/1)","","- C20 H10 O6 -","- C20 H10 O6 -","- C40 H20 O12 -","2","0.25","","Hill, Tania N.; Lemmerer, Andreas","Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H···O hydrogen bonds","Acta Crystallographica Section E","2018","74","12","1772","1777","10.1107/S2056989018015645","","x-ray","0.71073","MoKα","","0.039","0.034","","","0.0941","0.0983","","","","","","1.039","","","","has coordinates,has Fobs","211889","2020-10-21","18:00:00",""
"2242722","57.356","0.009","7.0172","0.001","9.3429","0.0013","90","","90","","90","","3760.3","1","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Pyromellitic acid dianhydride‒fluoranthene (1/1)","Pyromellitic acid dianhydride‒fluoranthene (1/1)","","- C26 H12 O6 -","- C26 H12 O6 -","- C208 H96 O48 -","8","2","","Hill, Tania N.; Lemmerer, Andreas","Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H···O hydrogen bonds","Acta Crystallographica Section E","2018","74","12","1772","1777","10.1107/S2056989018015645","","x-ray","0.71073","MoKα","","0.0668","0.0453","","","0.099","0.1062","","","","","","1.078","","","","has coordinates,has Fobs","211889","2020-10-21","18:00:00",""
"2242723","7.1012","0.0008","9.5674","0.0012","13.6147","0.0016","99.109","0.004","99.941","0.004","92.219","0.004","897.53","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","Pyromellitic acid dianhydride‒9-methylanthracene (1/1)","Pyromellitic acid dianhydride‒9-methylanthracene (1/1)","","- C25 H14 O6 -","- C25 H14 O6 -","- C50 H28 O12 -","2","1","","Hill, Tania N.; Lemmerer, Andreas","Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H···O hydrogen bonds","Acta Crystallographica Section E","2018","74","12","1772","1777","10.1107/S2056989018015645","","x-ray","0.71073","MoKα","","0.1148","0.0725","","","0.1941","0.2226","","","","","","1.022","","","","has coordinates,has Fobs","211889","2020-10-21","18:00:00",""
"2242724","9.1949","0.0007","17.9751","0.0014","10.9716","0.001","90","","112.829","0.002","90","","1671.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Pyromellitic acid dianhydride‒ethyl anthracene-9-carboxylate (1/2)","Pyromellitic acid dianhydride‒ethyl anthracene-9-carboxylate (1/2)","","- C44 H26 O12 -","- C44 H26 O12 -","- C88 H52 O24 -","2","0.5","","Hill, Tania N.; Lemmerer, Andreas","Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H···O hydrogen bonds","Acta Crystallographica Section E","2018","74","12","1772","1777","10.1107/S2056989018015645","","x-ray","0.71073","MoKα","","0.0717","0.0425","","","0.099","0.1116","","","","","","1.047","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2242725","10.7085","0.0001","41.9751","0.0002","18.9268","0.0001","90","","101.49","0.001","90","","8336.92","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,2'-Thiodibenzoic acid‒triphenylphosphane oxide (1/2)","2-[(2-Carboxyphenyl)sulfanyl]benzoic acid‒(diphenylphosphoryl)benzene (1/2)","","- C50 H40 O6 P2 S -","- C50 H40 O6 P2 S -","- C400 H320 O48 P16 S8 -","8","2","HB7782","Tan, Sang Loon; Tiekink, Edward R. T.","A 1:2 co-crystal of 2,2'-thiodibenzoic acid and triphenylphosphane oxide: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2018","74","12","1764","1771","10.1107/S205698901801544X","","x-ray","1.54184","CuKα","","0.0356","0.0331","","","0.09","0.0921","","","","","","1.036","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2242726","10.0911","0.0007","4.8021","0.0003","20.8939","0.0015","90","","91.174","0.007","90","","1012.27","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Prop-2-yn-1-yloxy)naphthalene-1,4-dione","","- C13 H8 O3 -","- C13 H8 O3 -","- C52 H32 O12 -","4","1","","Melo Ottoni, Flaviano; Isidório, Raquel Geralda; Alves, Ricardo José; Speziali, Nivaldo Lúcio","Two polymorphs of 2-(prop-2-yn-1-yloxy)naphthalene-1,4-dione: solvent-dependent crystallization","Acta Crystallographica Section E","2018","74","12","1731","1734","10.1107/S2056989018015438","","x-ray","0.71073","MoKα","","0.1292","0.0585","","","0.1191","0.1558","","","","","","1.005","","","","has coordinates","211891","2020-10-21","18:00:00",""
"2242727","3.9906","0.0006","11.6943","0.0016","12.3413","0.0016","63.347","0.014","83.343","0.012","83.018","0.012","509.69","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(Prop-2-yn-1-yloxy)naphthalene-1,4-dione","","- C13 H8 O3 -","- C13 H8 O3 -","- C26 H16 O6 -","2","1","","Melo Ottoni, Flaviano; Isidório, Raquel Geralda; Alves, Ricardo José; Speziali, Nivaldo Lúcio","Two polymorphs of 2-(prop-2-yn-1-yloxy)naphthalene-1,4-dione: solvent-dependent crystallization","Acta Crystallographica Section E","2018","74","12","1731","1734","10.1107/S2056989018015438","","x-ray","0.71073","MoKα","","0.2053","0.0638","","","0.1177","0.1842","","","","","","1.002","","","","has coordinates","211891","2020-10-21","18:00:00",""
"2242728","6.924","0.002","14.007","0.003","40.339","0.008","90","","90","","90","","3912.3","1.6","302","","302","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(nitro-κ<i>N</i>)(pyridine-κ<i>N</i>)cobalt(III)","","- C21 H19 Co N4 O4 -","- C21 H19 Co N4 O4 -","- C168 H152 Co8 N32 O32 -","8","2","","Ohba, Shigeru; Tsuchimoto, Masanobu; Yamada, Naoki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-{2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(pyridine/4-methylpyridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","12","1759","1763","10.1107/S2056989018015487","","","0.71073","MoKα","","0.0679","0.0342","","","0.0655","0.0809","","","","","","1.11","","","","has coordinates,has Fobs","211892","2020-10-21","18:00:00",""
"2242729","9.743","0.0004","18.0136","0.0006","12.8488","0.0005","90","","106.476","0.001","90","","2162.45","0.14","301","","301","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(4-methylpyridine-κ<i>N</i>)(nitro-κ<i>N</i>)cobalt(III)","","- C22 H21 Co N4 O4 -","- C22 H21 Co N4 O4 -","- C88 H84 Co4 N16 O16 -","4","1","","Ohba, Shigeru; Tsuchimoto, Masanobu; Yamada, Naoki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-{2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(pyridine/4-methylpyridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","12","1759","1763","10.1107/S2056989018015487","","","0.71073","MoKα","","0.0857","0.0551","","","0.1467","0.1916","","","","","","1.076","","","","has coordinates,has Fobs","211892","2020-10-21","18:00:00",""
"2242730","6.6816","0.0002","22.8286","0.0008","8.657","0.0003","90","","104.551","0.002","90","","1278.11","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-nitrobenzoate (2-hydroxyethyl)dimethylazanium","","- C11 H17 N3 O5 -","- C11 H17 N3 O5 -","- C44 H68 N12 O20 -","4","1","HB7785","Wardell, James L.; Tiekink, Edward R. T.","Crystal structures of the 1:1 salts of 2-amino-4-nitrobenzoate with each of (2-hydroxyethyl)dimethylazanium, <i>tert</i>-butyl(2-hydroxyethyl)azanium and 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium","Acta Crystallographica Section E","2018","74","12","1735","1740","10.1107/S2056989018015578","","","0.71073","MoKα","","0.0678","0.0535","","","0.1136","0.1234","","","","","","1.07","","","","has coordinates,has Fobs","211893","2020-10-21","18:00:00",""
"2242731","21.1138","0.0005","12.3635","0.0005","13.1909","0.0004","90","","120.627","0.002","90","","2963.02","0.18","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4-nitrobenzoate <i>tert</i>-butyl(2-hydroxyethyl)azanium","","- C13 H21 N3 O5 -","- C13 H21 N3 O5 -","- C104 H168 N24 O40 -","8","1","HB7785","Wardell, James L.; Tiekink, Edward R. T.","Crystal structures of the 1:1 salts of 2-amino-4-nitrobenzoate with each of (2-hydroxyethyl)dimethylazanium, <i>tert</i>-butyl(2-hydroxyethyl)azanium and 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium","Acta Crystallographica Section E","2018","74","12","1735","1740","10.1107/S2056989018015578","","","0.71073","MoKα","","0.0834","0.0499","","","0.119","0.1353","","","","","","1.02","","","","has coordinates,has Fobs","211893","2020-10-21","18:00:00",""
"2242732","13.6269","0.0006","9.4976","0.0003","10.2042","0.0004","90","","90.355","0.002","90","","1320.63","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-nitrobenzoate 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium","","- C11 H17 N3 O7 -","- C11 H17 N3 O7 -","- C44 H68 N12 O28 -","4","1","HB7785","Wardell, James L.; Tiekink, Edward R. T.","Crystal structures of the 1:1 salts of 2-amino-4-nitrobenzoate with each of (2-hydroxyethyl)dimethylazanium, <i>tert</i>-butyl(2-hydroxyethyl)azanium and 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium","Acta Crystallographica Section E","2018","74","12","1735","1740","10.1107/S2056989018015578","","","0.71073","MoKα","","0.0752","0.0475","","","0.1088","0.1219","","","","","","1.044","","","","has coordinates,has Fobs","211893","2020-10-21","18:00:00",""
"2242733","5.1669","0.0002","14.0781","0.0005","15.5152","0.0005","82.596","0.003","80.552","0.003","80.463","0.003","1091.87","0.07","100","1","100","1","","","","","","","","5","P -1","-P 1","2","Carboxine Form I","6-Methyl-<i>N</i>-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","2","HB7783","Frampton, Christopher S.; Frampton, Eleanor S.; Thomson, Paul A.","Two polymorphic forms of the oxathiin systemic fungicide active carboxine","Acta Crystallographica Section E","2018","74","12","1741","1745","10.1107/S2056989018015451","","","1.54178","CuKα","","0.0314","0.0308","","","0.0796","0.08","","","","","","1.026","","","","has coordinates,has Fobs","211894","2020-10-21","18:00:00",""
"2242734","9.6424","0.0002","11.4059","0.0003","21.6672","0.0005","90","","94.711","0.002","90","","2374.91","0.1","100","2","100","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Carboxine Form II","6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C96 H104 N8 O16 S8 -","8","1","","Frampton, Christopher S.; Frampton, Eleanor S.; Thomson, Paul A.","Two polymorphic forms of the oxathiin systemic fungicide active carboxine","Acta Crystallographica Section E","2018","74","12","1741","1745","10.1107/S2056989018015451","","","1.54178","CuKα","","0.0425","0.0402","","","0.1132","0.1159","","","","","","1.031","","","","has coordinates,has Fobs","211894","2020-10-21","18:00:00",""
"2242735","11.5244","0.0005","8.6312","0.0004","17.9845","0.0008","90","","94.134","0.001","90","","1784.25","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{[2-Oxo-3-(prop-1-en-2-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-1-yl)methyl}-3-(prop-1-en-2-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","XU5947","Saber, Asmaa; Sebbar, Nada Kheira; Hökelek, Tuncer; Hni, Brahim; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-1-yl]methyl}-3-(prop-1-en-2-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2018","74","12","1746","1750","10.1107/S2056989018015219","","","0.71073","MoKα","","0.0444","0.0394","","","0.1092","0.1125","","","","","","1.086","","","","has coordinates,has Fobs","211895","2020-10-21","18:00:00",""
"2242736","13.164","0.002","7.4692","0.0009","21.173","0.003","90","","90","","90","","2081.8","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenyl-1<i>H</i>-pyrazole-3,4-dicarboxylic acid","","- C11 H8 N2 O4 -","- C11 H8 N2 O4 -","- C88 H64 N16 O32 -","8","1","ZL2741","Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding","Acta Crystallographica Section E","2018","74","12","1783","1789","10.1107/S2056989018015864","","","0.71073","MoKα","","0.0925","0.0449","","","0.0987","0.1215","","","","","","1.034","","","","has coordinates,has Fobs","211942","2020-10-21","18:00:00",""
"2242737","5.9","0.0004","14.5273","0.0012","14.8726","0.0012","90","","98.867","0.003","90","","1259.51","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 1-phenyl-1<i>H</i>-pyrazole-3,4-dicarboxylate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","ZL2741","Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding","Acta Crystallographica Section E","2018","74","12","1783","1789","10.1107/S2056989018015864","","","0.71073","MoKα","","0.0924","0.042","","","0.0982","0.1289","","","","","","1.037","","","","has coordinates,has Fobs","211942","2020-10-21","18:00:00",""
"2242738","7.6546","0.0005","8.0959","0.0005","11.3065","0.0006","78.988","0.003","85.527","0.003","87.548","0.004","685.4","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 1-(4-methylphenyl)-1<i>H</i>-pyrazole-3,4-dicarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","ZL2741","Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding","Acta Crystallographica Section E","2018","74","12","1783","1789","10.1107/S2056989018015864","","","0.71073","MoKα","","0.0716","0.0444","","","0.1089","0.1277","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","211942","2020-10-21","18:00:00",""
"2242739","7.603","0.0006","22.6605","0.0019","7.6751","0.0007","90","","102.284","0.003","90","","1292.05","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Methoxyphenyl)-1<i>H</i>-pyrazole-3,4-dicarbohydrazide","","- C12 H14 N6 O3 -","- C12 H14 N6 O3 -","- C48 H56 N24 O12 -","4","1","ZL2741","Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding","Acta Crystallographica Section E","2018","74","12","1783","1789","10.1107/S2056989018015864","","","0.71073","MoKα","","0.0832","0.0457","","","0.0927","0.1082","","","","","","1.053","","","","has coordinates,has Fobs","211942","2020-10-21","18:00:00",""
"2242740","10.3207","0.0006","10.5311","0.0006","11.6703","0.0007","71.605","0.004","64.168","0.004","63.516","0.004","1010.23","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(μ-1-amidinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetraisopropylguanidinato-κ^5^<i>N</i>^1^:<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^,<i>N</i>^4^)dipotassium]-μ-1,2-dimethoxyethane-κ^2^<i>O</i>:<i>O</i>']","","- C32 H68 K2 N8 O2 -","- C32 H68 K2 N8 O2 -","- C32 H68 K2 N8 O2 -","1","0.5","ZL2742","Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Formation and structural characterization of a potassium amidinoguanidinate","Acta Crystallographica Section E","2018","74","12","1795","1799","10.1107/S2056989018015980","","","0.71073","MoKα","","0.0602","0.0513","","","0.1332","0.1389","","","","","","1.032","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2242741","5.9306","0.0006","9.477","0.001","13.04","0.002","98.822","0.009","96.046","0.009","92.416","0.009","718.94","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-Chloro-<i>N</i>'-(4-chlorobenzylidene)benzenesulfonohydrazide","","- C13 H10 Cl2 N2 O2 S -","- C13 H10 Cl2 N2 O2 S -","- C26 H20 Cl4 N4 O4 S2 -","2","1","SU5458","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of two (<i>E</i>)-<i>N</i>'-(<i>para</i>-substituted benzylidene) 4-chlorobenzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1808","1814","10.1107/S205698901801592X","","","0.71073","MoKα","","0.0433","0.0379","","","0.0981","0.1022","","","","","","1.078","","","","has coordinates,has Fobs","212034","2020-10-21","18:00:00",""
"2242742","19.903","0.001","10.2517","0.0007","15.064","0.001","90","","103.929","0.007","90","","2983.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-chloro-<i>N</i>'-(4-Nitrobenzylidene)benzenesulfonohydrazide","","- C13 H10 Cl N3 O4 S -","- C13 H10 Cl N3 O4 S -","- C104 H80 Cl8 N24 O32 S8 -","8","2","SU5458","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of two (<i>E</i>)-<i>N</i>'-(<i>para</i>-substituted benzylidene) 4-chlorobenzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1808","1814","10.1107/S205698901801592X","","","0.71073","MoKα","","0.0542","0.0381","","","0.0915","0.101","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","212034","2020-10-21","18:00:00",""
"2242743","7.5241","0.0003","8.2898","0.0003","18.7359","0.0006","89.738","0.003","79.626","0.003","64.741","0.004","1036.17","0.08","101.3","0.8","101.3","0.8","","","","","","","","4","P -1","-P 1","2","4-dimethylaminopyridinium hydrogen oxalate 0.22 hydrate","4-(Dimethylamino)pyridinum hydrogen oxalate 0.22-hydrate,","","- C9 H12.44 N2 O4.22 -","- C9 H12.443 N2 O4.2215 -","- C36 H49.772 N8 O16.886 -","4","2","QM2130","Mulrooney, David Z. T.; Madden, Eimear C.; Lonergan, Rhona F.; Slyusarchuk, Valentyna D.; Müller-Bunz, Helge; Keene, Tony D.","Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium hydrogen oxalate salts","Acta Crystallographica Section E","2018","74","12","1804","1807","10.1107/S2056989018015827","","x-ray","1.54184","CuKα","","0.0453","0.0386","","","0.0961","0.1024","","","","","","1.033","","","","has coordinates,has Fobs","212035","2020-10-21","18:00:00",""
"2242744","9.7043","0.0001","20.6128","0.0002","11.3649","0.0002","90","","95.301","0.001","90","","2263.63","0.05","100.9","0.4","100.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-t-butylpyridinium hydrogen oxalate","4-<i>tert</i>-Butylpyridinium hydrogen oxalate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C88 H120 N8 O32 -","8","2","","Mulrooney, David Z. T.; Madden, Eimear C.; Lonergan, Rhona F.; Slyusarchuk, Valentyna D.; Müller-Bunz, Helge; Keene, Tony D.","Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium hydrogen oxalate salts","Acta Crystallographica Section E","2018","74","12","1804","1807","10.1107/S2056989018015827","","x-ray","1.54184","CuKα","","0.0353","0.0316","","","0.0826","0.0858","","","","","","1.03","","","","has coordinates,has Fobs","212035","2020-10-21","18:00:00",""
"2242745","5.6867","0.0003","12.2465","0.0008","12.0831","0.0006","90","","113.15","0.004","90","","773.74","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound X","Morpholinium hydrogen oxalate","","- C6 H11 N O5 -","- C6 H11 N O5 -","- C24 H44 N4 O20 -","4","1","","Mulrooney, David Z. T.; Madden, Eimear C.; Lonergan, Rhona F.; Slyusarchuk, Valentyna D.; Müller-Bunz, Helge; Keene, Tony D.","Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium hydrogen oxalate salts","Acta Crystallographica Section E","2018","74","12","1804","1807","10.1107/S2056989018015827","","x-ray","0.71073","MoKα","","0.0586","0.0415","","","0.1008","0.1102","","","","","","1.045","","","","has coordinates,has Fobs","212035","2020-10-21","18:00:00",""
"2242746","7.806","0.004","8.263","0.003","10.414","0.006","97.26","0.011","109.65","0.02","93.79","0.02","623.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(4-Methoxyphenyl)[2-(methylsulfanyl)thiophen-3-yl]methanone","","- C13 H12 O2 S2 -","- C13 H12 O2 S2 -","- C26 H24 O4 S4 -","2","1","VM2213","Nagaraju, S.; Sridhar, M. A.; Pradeepa Kumara, C.S.; Sadashiva, M. P.; Lakshminarayana, B. N.; Lokanath, N. K.","Synthesis, molecular structure and Hirshfeld surface analysis of (4-methoxyphenyl)[2-(methylsulfanyl)thiophen-3-yl]methanone","Acta Crystallographica Section E","2018","74","12","1800","1803","10.1107/S2056989018016043","","","0.71073","MoKα","","0.0513","0.0464","","","0.1234","0.1284","","","","","","1.087","","","","has coordinates,has Fobs","212036","2020-10-21","18:00:00",""
"2242747","16.6108","0.0006","12.0803","0.0006","7.0946","0.0004","90","","90.396","0.004","90","","1423.59","0.12","298","0.1","298","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,5'-(Propane-2,2-diyl)bis(2-hydroxybenzaldehyde)","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","LH5885","Sausa, Rosario C.; Lastovickova, Dominika N.; La Scala, John J.","Synthesis and crystal structures of 5,5'-(propane-2,2-diyl)bis(2-hydroxybenzaldehyde) and 5,5'-(propane-2,2-diyl)bis(2-hydroxyisophthalaldehyde)","Acta Crystallographica Section E","2018","74","12","1872","1877","10.1107/S2056989018016316","","","0.71073","MoKα","","0.0651","0.0507","","","0.1155","0.1222","","","","","","1.097","","","","has coordinates,has Fobs","212134","2020-10-21","18:00:00",""
"2242748","13.4327","0.0004","7.992","0.0003","15.2062","0.0005","90","","90.348","0.003","90","","1632.42","0.09","297.5","0.5","297.5","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,5'-(propane-2,2-diyl)bis(2-hydroxyisophthalaldehyde)","","- C19 H16 O6 -","- C19 H16 O6 -","- C76 H64 O24 -","4","1","","Sausa, Rosario C.; Lastovickova, Dominika N.; La Scala, John J.","Synthesis and crystal structures of 5,5'-(propane-2,2-diyl)bis(2-hydroxybenzaldehyde) and 5,5'-(propane-2,2-diyl)bis(2-hydroxyisophthalaldehyde)","Acta Crystallographica Section E","2018","74","12","1872","1877","10.1107/S2056989018016316","","x-ray","0.71073","MoKα","","0.0715","0.0561","","","0.1546","0.1669","","","","","","1.04","","","","has coordinates,has Fobs","212134","2020-10-21","18:00:00",""
"2242749","14.1447","0.0014","11.838","0.0012","7.4252","0.0008","90","","96.681","0.007","90","","1234.9","0.2","180","2","180","2","","","","","","","","4","P 1 c 1","P -2yc","7","","3-(4-Methylphenyl)-6-nitro-1<i>H</i>-indazole","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C56 H44 N12 O12 -","4","2","FF2156","Ben-Yahia, Ali; El Bakri, Youness; Lai, Chin-Hung; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure, DFT calculations and Hirshfeld surface analysis of 3-(4-methylphenyl)-6-nitro-1<i>H</i>-indazole","Acta Crystallographica Section E","2018","74","12","1857","1861","10.1107/S205698901801647X","","","0.71073","MoKα","","0.1992","0.0639","","","0.1152","0.1584","","","","","","0.939","","","","has coordinates,has Fobs","212135","2020-10-21","18:00:00",""
"2242750","6.8087","0.0002","11.8568","0.0005","15.2562","0.0006","67.473","0.002","81.663","0.002","89.824","0.003","1123.77","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium trichloroacetate","","- C19 H17 Cl3 F6 N2 O3 -","- C19 H17 Cl3 F6 N2 O3 -","- C38 H34 Cl6 F12 N4 O6 -","2","1","HB7786","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium trichloroacetate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","12","1851","1856","10.1107/S2056989018016389","","","0.71073","MoKα","","0.0672","0.0469","","","0.1197","0.1329","","","","","","1.02","","","","has coordinates,has Fobs","212136","2020-10-21","18:00:00",""
"2242751","4.6993","0.0005","10.038","0.001","30.155","0.003","90","","90","","90","","1422.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","HMBA","4-[(3-Methoxy-2-oxidobenzylidene)azaniumyl]benzoic acid methanol monosolvate","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","XU5950","Kamaal, Saima; Faizi, Md. Serajul Haque; Ali, Akram; Ahmad, Musheer; Iskenderov, Turganbay","Crystal structure of 4-[(3-methoxy-2-oxidobenzylidene)azaniumyl]benzoic acid methanol monosolvate","Acta Crystallographica Section E","2018","74","12","1847","1850","10.1107/S2056989018016262","","","0.71073","MoKα","","0.0621","0.0464","","","0.1023","0.1121","","","","","","1.08","","","","has coordinates,has Fobs","212137","2020-10-21","18:00:00",""
"2242752","13.5712","0.0008","9.5161","0.0006","20.1543","0.0013","90","","99.357","0.002","90","","2568.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6,11-Tetrakis(4-fluorophenyl)-9-oxa-1,5-diazatricyclo[5.3.1.0^3.8^]undecane","","- C32 H26 F4 N2 O -","- C32 H26 F4 N2 O -","- C128 H104 F16 N8 O4 -","4","1","DX2010","Vengatesh, G.; Sundaravadivelu, M.; Swinton Darious, Robert","Crystal structure and Hirshfeld surface analysis of 2,4,6,11-tetrakis(4-fluorophenyl)-9-oxa-1,5-diazatricyclo[5.3.1.0^3.8^]undecane","Acta Crystallographica Section E","2018","74","12","1867","1871","10.1107/S2056989018016122","","","0.71073","MoKα","","0.0624","0.0424","","","0.0991","0.1167","","","","","","1.076","","","","has coordinates,has Fobs","212138","2020-10-21","18:00:00",""
"2242753","8.3567","0.0002","9.204","0.0002","17.7868","0.0004","90","","94.559","0.001","90","","1363.74","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","XU5952","Saber, Asmaa; Sebbar, Nada Kheira; Hökelek, Tuncer; El hafi, Mohamed; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of 1-benzyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2018","74","12","1842","1846","10.1107/S2056989018016298","","","1.54178","CuKα","","0.0426","0.038","","","0.1037","0.1083","","","","","","1.049","","","","has coordinates,has Fobs","212139","2020-10-21","18:00:00",""
"2242754","19.221","0.002","5.427","0.0007","17.143","0.002","90","","105.45","0.02","90","","1723.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-[4-(Piperidin-1-yl)benzylidene]benzenesulfonohydrazide","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C72 H84 N12 O8 S4 -","4","1","TX2009","Pai, Nikhila; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]arylsulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1826","1832","10.1107/S2056989018016237","","","0.71073","MoKα","","0.061","0.0429","","","0.0977","0.108","","","","","","1.057","","","","has coordinates,has Fobs","212140","2020-10-21","18:00:00",""
"2242755","18.442","0.002","5.325","0.0004","19.412","0.002","90","","101.74","0.01","90","","1866.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methyl-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]benzenesulfonohydrazide","","- C19 H23 N3 O2 S -","- C19 H23 N3 O2 S -","- C76 H92 N12 O8 S4 -","4","1","TX2009","Pai, Nikhila; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]arylsulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1826","1832","10.1107/S2056989018016237","","","0.71073","MoKα","","0.0941","0.0514","","","0.1176","0.1365","","","","","","1.024","","","","has coordinates,has Fobs","212140","2020-10-21","18:00:00",""
"2242756","33.052","0.006","5.258","0.001","43.026","0.008","90","","94.05","0.02","90","","7459","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-Chloro-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]benzenesulfonohydrazide","","- C18 H20 Cl N3 O2 S -","- C18 H20 Cl N3 O2 S -","- C288 H320 Cl16 N48 O32 S16 -","16","2","TX2009","Pai, Nikhila; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]arylsulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1826","1832","10.1107/S2056989018016237","","","0.71073","MoKα","","0.1848","0.0751","","","0.133","0.172","","","","","","1.013","","","","has coordinates,has Fobs","212140","2020-10-21","18:00:00",""
"2242757","14.76937","0.00009","15.57623","0.0001","19.28129","0.00013","94.7754","0.0005","104.2","0.0006","100.929","0.0005","4182.75","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis{μ~2~-6,6'-dimethoxy-2,2'-[phenylene-1,2-diylbis(nitrilomethanylylidene)]diphenolato}-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2κ^3^<i>O</i>,<i>O</i>',<i>O</i>^6^;2κ^3^<i>O</i>,<i>O</i>',<i>O</i>^6^:3κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-bis(dimethylformamide-2κ<i>O</i>)dithiocyanato-1κ<i>N</i>,3κ<i>N</i>-2-samarium(III)-1,3-dizinc(II) {μ~2~-6,6'-dimethoxy-2,2'-[phenylene-1,2-diylbis(nitrilomethanylylidene)]diphenolato-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2κ^2^<i>O</i>,<i>O</i>'}trithiocyanato-1κ<i>N</i>;2κ^2^<i>N</i>,<i>N</i>-dizinc(II) dimethylformamide monosolvate 1.32-hydrate","","- C80 H75.64 N14 O15.32 S5 Sm Zn4 -","- C80 H75.64 N14 O15.32 S5 Sm Zn4 -","- C160 H151.28 N28 O30.64 S10 Sm2 Zn8 -","2","1","EX2013","Sarr, Mamour; Diop, Mayoro; Thiam, Elhadj Ibrahima; Gaye, Mohamed; Barry, Aliou Hamady; Orton, James B.; Coles, Simon J.","A new co-crystal dinuclear/trinuclear Zn^II^‒Zn^II^/Zn^II^‒Sm^III^‒Zn^II^ complex with a salen-type Schiff base ligand","Acta Crystallographica Section E","2018","74","12","1862","1866","10.1107/S2056989018016109","","x-ray","0.71075","MoKα","","0.0254","0.0242","","","0.0567","0.0572","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","212141","2020-10-21","18:00:00",""
"2242758","3.791","0.0002","18.0092","0.001","9.0069","0.0005","90","","101.704","0.002","90","","602.14","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","","- C6 H6 N4 -","- C6 H6 N4 -","- C24 H24 N16 -","4","1","LH5886","Lahmidi, Sanae; Sebbar, Nada Kheira; Hökelek, Tuncer; Chkirate, Karim; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of 5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2018","74","12","1833","1837","10.1107/S2056989018016225","","","1.54178","CuKα","","0.0462","0.0435","","","0.1104","0.1131","","","","","","1.097","","","","has coordinates,has Fobs","212142","2020-10-21","18:00:00",""
"2242759","7.2964","0.0002","5.9451","0.0002","18.2253","0.0007","90","","92.318","0.001","90","","789.93","0.05","296","2","296","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')platinum(II)]-μ-iodido-[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')platinum(IV)]-μ-iodido] tetra(hydrogen sulfate) dihydrate]","","- C8 H40 I2 N8 O18 Pt2 S4 -","- C8 H40 I2 N8 O18 Pt2 S4 -","- C8 H40 I2 N8 O18 Pt2 S4 -","1","0.25","WM5469","Matsushita, Nobuyuki","A one-dimensional iodido-bridged Pt^II^/Pt^IV^ mixed-valence complex cation with a hydrogen sulfate counter-anion","Acta Crystallographica Section E","2018","74","12","1821","1825","10.1107/S2056989018016158","","","0.71075","MoKα","","0.0266","0.0235","","","0.0448","0.0455","","","","","","1.205","","","","has coordinates,has Fobs","212143","2020-10-21","18:00:00",""
"2242760","5.3265","0.0002","9.9946","0.0004","14.5414","0.0005","103.054","0.002","100.039","0.002","93.108","0.002","739.03","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one","","- C16 H19 N5 O -","- C16 H19 N5 O -","- C32 H38 N10 O2 -","2","1","XU5949","Abad, Nadeem; Ramli, Youssef; Hökelek, Tuncer; Sebbar, Nada Kheira; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","12","1815","1820","10.1107/S205698901801589X","","","1.54178","CuKα","","0.0516","0.0408","","","0.0926","0.0995","","","","","","1.071","","","","has coordinates,has Fobs","212144","2020-10-21","18:00:00",""
"2242761","11.5011","0.001","14.2262","0.0013","16.2969","0.0014","80.305","0.001","78.449","0.001","81.753","0.001","2558.5","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Tris(1,1'-dibutyl-4,4'-bipyridine-1,1'-diium) bis(dimethyl sulfoxide)di-μ~3~-iodido-tetra-μ~2~-iodido-octaiodidotetralead(II) dimethyl sulfoxide disolvate","","- C62 H102 I14 N6 O4 Pb4 S4 -","- C62 H102 I14 N6 O4 Pb4 S4 -","- C62 H102 I14 N6 O4 Pb4 S4 -","1","0.5","EX2016","Li, Li; Zhao, Dan; Liu, Zhi; Zhang, Dingchao; Hu, Zhenhao; Li, Kunlun; Yang, Jing","Crystal structure of the lead-containing organic‒inorganic hybrid: (C~18~H~26~N~2~)~3~[Pb~4~I~14~(DMSO)~2~]·2DMSO","Acta Crystallographica Section E","2018","74","12","1878","1880","10.1107/S2056989018016584","","","0.71073","MoKα","","0.0375","0.0343","","","0.097","0.0989","","","","","","1.065","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2242762","30.642","0.002","8.0866","0.0004","23.413","0.002","90","","114.316","0.007","90","","5286.8","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[4'-(isoquinolin-2-ium-4-yl)-4,2':6',4''-terpyridine-1,1''-diium] tris(tetrachloridozincate)","","- C48 H38 Cl12 N8 Zn3 -","- C48 H38 Cl12 N8 Zn3 -","- C192 H152 Cl48 N32 Zn12 -","4","0.5","EB2014","Granifo, Juan; Suárez, Sebastián; Baggio, Ricardo","The enrichment ratio of atomic contacts in the crystal structure of isomeric, triply protonated, 4'-functionalized terpyridine cations with [ZnCl~4~]^2{-^} as counter-ion","Acta Crystallographica Section E","2018","74","12","1881","1886","10.1107/S2056989018016250","","x-ray","0.71073","MoKα","","0.0802","0.0454","","","0.0862","0.106","","","","","","1.083","","","","has coordinates,has Fobs","212311","2020-10-21","18:00:00",""
"2242763","9.6753","0.001","7.0072","0.0006","15.3749","0.0013","90","","93.425","0.007","90","","1040.51","0.17","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-[(3-chloro-4-methylphenylimino)methyl]phenol","","- C22 H28 Cl N O -","- C22 H28 Cl N O -","- C44 H56 Cl2 N2 O2 -","2","0.5","XU5948","Kansiz, Sevgi; Macit, Mustafa; Dege, Necmi; Pavlenko, Vadim A.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-[(3-chloro-4-methylphenylimino)methyl]phenol","Acta Crystallographica Section E","2018","74","12","1887","1890","10.1107/S2056989018016377","","","0.71073","MoKα","","0.0923","0.0531","","","0.1523","0.1681","","","","","","1.003","","","","has coordinates,has Fobs","212312","2020-10-21","18:00:00",""
"2242764","5.95842","0.00016","3.73769","0.0001","25.5943","0.0006","90","","95.362","0.002","90","","567.51","0.03","150","0.14","150","0.14","","","","","","","","4","P 1 c 1","P -2yc","7","4-Carboxyanilinium pyrazine-2-carboxylate","4-Carboxyanilinium pyrazine-2-carboxylate","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","RZ5246","Drozd, K. V.; Arkhipov, S. G.; Boldyreva, E. V.; Perlovich, G. L.","Crystal structure of a 1:1 salt of 4-aminobenzoic acid (vitamin B~10~) with pyrazinoic acid","Acta Crystallographica Section E","2018","74","12","1923","1927","10.1107/S2056989018016663","","x-ray","0.71073","MoKα","","0.0465","0.0441","","","0.1277","0.1313","","","","","","1.13","","","","has coordinates,has Fobs","212313","2020-10-21","18:00:00",""
"2242765","5.95233","0.00016","3.80345","0.00011","25.6879","0.0007","90","","95.037","0.002","90","","579.31","0.03","293","","293","","","","","","","","","4","P 1 c 1","P -2yc","7","4-Carboxyanilinium pyrazine-2-carboxylate","4-Carboxyanilinium pyrazine-2-carboxylate","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","","Drozd, K. V.; Arkhipov, S. G.; Boldyreva, E. V.; Perlovich, G. L.","Crystal structure of a 1:1 salt of 4-aminobenzoic acid (vitamin B~10~) with pyrazinoic acid","Acta Crystallographica Section E","2018","74","12","1923","1927","10.1107/S2056989018016663","","x-ray","0.71073","MoKα","","0.053","0.0491","","","0.1398","0.1445","","","","","","1.111","","","","has coordinates,has Fobs","212313","2020-10-21","18:00:00",""
"2242766","21.6649","0.0018","14.9748","0.0012","14.9744","0.0011","90","","123.621","0.002","90","","4045.4","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{(<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II)","","- C36 H46 Cd I4 N4 -","- C36 H46 Cd I4 N4 -","- C144 H184 Cd4 I16 N16 -","4","0.5","SU5462","Antony, Priya; Inglebert, S. Antony; Ramaclus, Jerald V.; Sundaram, S. John; Sagayaraj, P.","Crystal structures of two stilbazole derivatives: bis{(<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II) and (<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium 4-methoxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2018","74","12","1891","1894","10.1107/S2056989018016808","","","0.71073","MoKα","","0.1083","0.0427","","","0.0687","0.091","","","","","","1.018","","","","has coordinates,has Fobs","212314","2020-10-21","18:00:00",""
"2242767","8.2481","0.0006","9.7963","0.0009","15.5409","0.0014","94.283","0.005","101.647","0.005","99.112","0.005","1206.93","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-{2-[4-(Diethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium 4-methoxybenzene-1-sulfonate monohydrate","","- C25 H32 N2 O5 S -","- C25 H32 N2 O5 S -","- C50 H64 N4 O10 S2 -","2","1","SU5462","Antony, Priya; Inglebert, S. Antony; Ramaclus, Jerald V.; Sundaram, S. John; Sagayaraj, P.","Crystal structures of two stilbazole derivatives: bis{(<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II) and (<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium 4-methoxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2018","74","12","1891","1894","10.1107/S2056989018016808","","","0.71073","MoKα","","0.1565","0.0798","","","0.1365","0.1611","","","","","","1.069","","","","has coordinates,has Fobs","212314","2020-10-21","18:00:00",""
"2242768","8.719","0.0003","12.0891","0.0003","24.6794","0.0007","90","","90.806","0.003","90","","2601.07","0.13","130","0.1","130","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,3-Trimethyl-4-[6-(4-methylpiperazin-1-yl)-1<i>H</i>,3'<i>H</i>-[2,5'-bibenzo[<i>d</i>]imidazol]-2'-yl]aniline dihydrate","","- C28 H35 N7 O2 -","- C28 H35 N7 O2 -","- C112 H140 N28 O8 -","4","1","SJ5567","White, Jonathan Michael; Brydon, Samuel Charles; Fellowes, Thomas","Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methylproamine","Acta Crystallographica Section E","2018","74","12","1903","1907","10.1107/S2056989018016791","","x-ray","1.54184","CuKα","","0.0536","0.0438","","","0.1111","0.1194","","","","","","1.029","","","","has coordinates,has Fobs","212315","2020-10-21","18:00:00",""
"2242769","9.875","0.0001","22.6561","0.0003","11.7917","0.0001","90","","101.188","0.001","90","","2588.01","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,3-Trimethyl-4-[6-(4-methylpiperazin-1-yl)-1<i>H</i>,3'<i>H</i>-[2,5'-bibenzo[<i>d</i>]imidazol]-2'-yl]aniline monohydrate","","- C28 H33 N7 O -","- C28 H33 N7 O -","- C112 H132 N28 O4 -","4","1","","White, Jonathan Michael; Brydon, Samuel Charles; Fellowes, Thomas","Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methylproamine","Acta Crystallographica Section E","2018","74","12","1903","1907","10.1107/S2056989018016791","","x-ray","1.54184","CuKα","","0.0576","0.0496","","","0.1371","0.1437","","","","","","1.079","","","","has coordinates,has Fobs","212315","2020-10-21","18:00:00",""
"2242770","6.0847","0.0014","8.5048","0.0019","17.286","0.004","102.668","0.007","90.646","0.006","109.813","0.008","817.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","3-Methoxy-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy}benzonitrile","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C36 H30 N6 O8 -","2","1","ZQ2243","Lakshmithendral, K.; Archana, K.; Saravanan, K.; Kabilan, S.; Selvanayagam, S.","Crystal structures of 3-methoxy-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy}benzonitrile and <i>N</i>-(4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)acetamide","Acta Crystallographica Section E","2018","74","12","1919","1922","10.1107/S2056989018016754","","","0.71073","MoKα","","0.1559","0.0862","","","0.229","0.2823","","","","","","0.948","","","","has coordinates,has Fobs","212316","2020-10-21","18:00:00",""
"2242771","42.24","0.01","10.233","0.003","7.496","0.002","90","","91.016","0.011","90","","3239.6","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(4-{[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)acetamide","","- C17 H14 Cl N3 O3 -","- C17 H14 Cl N3 O3 -","- C136 H112 Cl8 N24 O24 -","8","1","ZQ2243","Lakshmithendral, K.; Archana, K.; Saravanan, K.; Kabilan, S.; Selvanayagam, S.","Crystal structures of 3-methoxy-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy}benzonitrile and <i>N</i>-(4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)acetamide","Acta Crystallographica Section E","2018","74","12","1919","1922","10.1107/S2056989018016754","","","0.71073","MoKα","","0.0828","0.0632","","","0.1637","0.182","","","","","","1.052","","","","has coordinates,has Fobs","212316","2020-10-21","18:00:00",""
"2242772","13.6143","0.0017","9.3067","0.0011","13.2101","0.0015","90","","92.369","0.004","90","","1672.3","0.3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[bis(μ-2-bromopyrazine)tetra-μ~2~-cyanido-dicopper(I)iron(II)]","","- C12 H6 Br2 Cu2 Fe N8 -","- C12 H6 Br2 Cu2 Fe N8 -","- C48 H24 Br8 Cu8 Fe4 N32 -","4","0.5","","Kucheriv, Olesia I.; Tokmenko, Inna I.; Matushko, Igor P.; Tsapyuk, Galyna G.; Gural'skiy, Il'ya A.","Crystal structure of poly[bis(μ-2-bromopyrazine)tetra-μ~2~-cyanido-dicopper(I)iron(II)]: a bimetallic metal-organic framework","Acta Crystallographica Section E","2018","74","12","1895","1898","10.1107/S2056989018016638","","","0.71073","MoKα","","0.0309","0.0255","","","0.0604","0.0626","","","","","","1.044","","","","has coordinates,has Fobs","212317","2020-10-21","18:00:00",""
"2242773","9.1463","0.0006","20.999","0.0011","11.2177","0.0007","90","","90.493","0.007","90","","2154.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II)","","- C50 H36 Mn N6 O4 S2 -","- C50 H36 Mn N6 O4 S2 -","- C100 H72 Mn2 N12 O8 S4 -","2","0.5","WM5475","Wellm, Carsten; Näther, Christian","Tetrakis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2018","74","12","1899","1902","10.1107/S2056989018016432","","","0.71073","MoKα","","0.0504","0.0404","","","0.1026","0.1089","","","","","","1.035","","","","has coordinates,has Fobs","212318","2020-10-21","18:00:00",""
"2242774","9.2357","0.0007","15.6388","0.0012","11.984","0.001","90","","93.998","0.003","90","","1726.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-<i>tert</i>-Butyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-<i>a</i>]pyridin-3-amine","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C76 H92 N12 O4 -","4","1","","Dhanalakshmi, G.; Ramanjaneyulu, Mala; Thennarasu, Sathiah; Aravindhan, S.","Crystal structure and Hirshfeld surface analysis of two imidazo[1,2-<i>a</i>]pyridine derivatives: <i>N</i>-<i>tert</i>-butyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-<i>a</i>]pyridin-3-amine and <i>N</i>-<i>tert</i>-butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyridin-3-amine","Acta Crystallographica Section E","2018","74","12","1913","1918","10.1107/S2056989018016651","","","0.71073","MoKα","","0.0827","0.0466","","","0.0994","0.119","","","","","","1.027","","","","has coordinates,has Fobs","212319","2020-10-21","18:00:00",""
"2242775","34.9185","0.0014","8.4656","0.0005","11.8361","0.0006","90","","91.061","0.005","90","","3498.2","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>N</i>-<i>tert</i>-Butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyridin-3-amine","","- C19 H24 N4 -","- C19 H24 N4 -","- C152 H192 N32 -","8","1","","Dhanalakshmi, G.; Ramanjaneyulu, Mala; Thennarasu, Sathiah; Aravindhan, S.","Crystal structure and Hirshfeld surface analysis of two imidazo[1,2-<i>a</i>]pyridine derivatives: <i>N</i>-<i>tert</i>-butyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-<i>a</i>]pyridin-3-amine and <i>N</i>-<i>tert</i>-butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyridin-3-amine","Acta Crystallographica Section E","2018","74","12","1913","1918","10.1107/S2056989018016651","","","0.71073","MoKα","","0.11","0.0492","","","0.119","0.1593","","","","","","1.015","","","","has coordinates,has Fobs","212319","2020-10-21","18:00:00",""
"2243188","12.4711","0.0002","12.0986","0.0002","13.7645","0.0002","90","","91.742","0.001","90","","2075.87","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3a<i>S</i>,3b<i>S</i>,4a<i>S</i>,5a<i>S</i>,6<i>S</i>,7a<i>R</i>,8a<i>R</i>,8b<i>S</i>,11a<i>R</i>)-6-(Furan-3-yl)-3a,5a,8b,11a-tetramethyl-3a,4a,5,5a,6,7,7a,8b,11,11a-decahydrooxireno[2',3':4b,5]oxireno[2'',3'':2',3']cyclopenta[1',2':7,8]phenanthro[10,1-<i>bc</i>]furan-3(3a<i>H</i>)-one hemihydrate","","- C26 H29 O5.5 -","- C26 H29 O5.5 -","- C104 H116 O22 -","4","2","","Kenfack Tsobnang, Patrice; Tsamo Tontsa, Armelle; Mkounga, Pierre; Ephrem Nkengfack, Augustin; Tonlé Kenfack, Ignas","Crystal structure of limonoid TS3, isolated from <i>Trichilia rubescens</i>","Acta Crystallographica Section E","2018","74","8","1083","1086","10.1107/S2056989018009775","","","1.54184","CuKα","","0.0331","0.0313","","","0.0778","0.0797","","","","","","1.021","","","","has coordinates,has Fobs","227656","2020-10-21","18:00:00",""
"2243189","5.8515","0.0008","7.5304","0.001","18.859","0.003","90","","93.979","0.005","90","","829","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>E</i>)-5-Phenyl-3-[(pyridin-4-ylmethylidene)amino]thiazolidin-2-iminium bromide monohydrate","","- C15 H17 Br N4 O S -","- C15 H17 Br N4 O S -","- C30 H34 Br2 N8 O2 S2 -","2","1","XU5936","Akkurt, Mehmet; Maharramov, Abel M.; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Khalilov, Ali N.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-5-phenyl-3-[(pyridin-4-ylmethylidene)amino]thiazolidin-2-iminium bromide monohydrate","Acta Crystallographica Section E","2018","74","9","1290","1294","10.1107/S2056989018011155","","","0.71073","MoKα","","0.0417","0.0371","","","0.0849","0.0874","","","","","","1.075","","","","has coordinates,has Fobs","227657","2020-10-21","18:00:00",""
"2243190","9.1172","0.0009","10.3752","0.001","14.7482","0.0014","89.044","0.002","86.658","0.002","82.896","0.002","1381.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(1<i>RS</i>,21<i>SR</i>)-Diethyl 2-[23-amino-22-ethoxycarbonyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18,22-heptaen-25-yl]but-2-endioate","","- C30 H34 N2 O9 -","- C30 H34 N2 O9 -","- C60 H68 N4 O18 -","2","1","LD2144","Tran, Thi Thanh Van; Le, Tuan Anh; Truong, Hong Hieu; Dao, Thi Nhung; Soldatenkov, Anatoly T.; Khrustalev, Victor N.","One-pot synthesis of (1<i>RS</i>,21<i>SR</i>)-diethyl 2-[23-amino-22-ethoxycarbonyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18,22-heptaen-25-yl]but-2-endioate","Acta Crystallographica Section E","2018","74","9","1281","1284","10.1107/S205698901801160X","","","0.71073","MoKα","","0.1008","0.0551","","","0.1095","0.1269","","","","","","1.027","","","","has coordinates,has Fobs","227658","2020-10-21","18:00:00",""
"2243191","22.5144","0.0005","13.1601","0.0003","13.2652","0.0003","90","","93.4509","0.0011","90","","3923.24","0.15","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3'-Bipyridine-2',6'-dicarbonitrile","","- C12 H6 N4 -","- C12 H6 N4 -","- C192 H96 N64 -","16","4","","Jung, Seoulgi; Park, Ki-Min; Kim, Jinho; Kang, Youngjin","Crystal structure of 2,3'-bipyridine-2',6'-dicarbonitrile","Acta Crystallographica Section E","2018","74","9","1272","1275","10.1107/S2056989018011532","","","0.71073","MoKα","","0.0732","0.0488","","","0.1244","0.1399","","","","","","1.045","","","","has coordinates,has Fobs","227659","2020-10-21","18:00:00",""
"2243192","9.3038","0.0011","15.0166","0.0018","16.117","0.0019","90","","99.286","0.002","90","","2222.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(9-ethyl-9<i>H</i>-carbazol-3-yl)prop-2-en-1-one","","- C31 H23 N O -","- C31 H23 N O -","- C124 H92 N4 O4 -","4","1","LH5878","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(9-ethyl-9<i>H</i>-carbazol-3-yl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-[4-(9<i>H</i>-carbazol-9-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2018","74","9","1302","1308","10.1107/S2056989018011131","","","0.71073","MoKα","","0.0994","0.0557","","","0.1189","0.1419","","","","","","1.031","","","","has coordinates,has Fobs","227660","2020-10-21","18:00:00",""
"2243193","18.019","0.003","29.214","0.004","9.5503","0.0013","90","","97.637","0.002","90","","4982.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(9<i>H</i>-carbazol-9-yl)phenyl]prop-2-en-1-one","","- C35 H23 N O -","- C35 H23 N O -","- C280 H184 N8 O8 -","8","2","LH5878","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(9-ethyl-9<i>H</i>-carbazol-3-yl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-[4-(9<i>H</i>-carbazol-9-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2018","74","9","1302","1308","10.1107/S2056989018011131","","","0.71073","MoKα","","0.2044","0.0839","","","0.1264","0.1694","","","","","","1.019","","","","has coordinates,has Fobs","227660","2020-10-21","18:00:00",""
"2243194","16.4359","0.001","5.1917","0.0003","20.5792","0.0011","90","","110.748","0.004","90","","1642.15","0.17","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromo-4,6-dimethylaniline","","- C8 H10 Br N -","- C8 H10 Br N -","- C64 H80 Br8 N8 -","8","2","LH5879","Penner, Samuel C.; Kalvandi, Maryam; Ritch, Jamie S.","A structural study of 2,4-dimethylaniline derivatives","Acta Crystallographica Section E","2018","74","9","1276","1280","10.1107/S2056989018011404","","","0.71073","MoKα","","0.0503","0.0296","","","0.0615","0.0686","","","","","","1.002","","","","has coordinates,has Fobs","227661","2020-10-21","18:00:00",""
"2243195","7.6563","0.0002","13.2685","0.0004","8.3688","0.0002","90","","96.968","0.002","90","","843.89","0.04","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,4-Bis(2,4-dimethylphenyl)piperazine","","- C20 H26 N2 -","- C20 H26 N2 -","- C40 H52 N4 -","2","1","","Penner, Samuel C.; Kalvandi, Maryam; Ritch, Jamie S.","A structural study of 2,4-dimethylaniline derivatives","Acta Crystallographica Section E","2018","74","9","1276","1280","10.1107/S2056989018011404","","","0.71073","MoKα","","0.062","0.0396","","","0.0894","0.0954","","","","","","1.046","","","","has coordinates,has Fobs","227661","2020-10-21","18:00:00",""
"2243196","7.8367","0.0003","9.6842","0.0004","7.5006","0.0004","90","","93.468","0.004","90","","568.19","0.04","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Methyl 4-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C22 H22 N2 O8 S2 -","2","1","ZP2032","Shishkina, Svitlana; Ukrainets, Igor; Hamza, Ganna; Grinevich, Lina","Molecular and crystal structure of methyl 4-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2018","74","9","1299","1301","10.1107/S2056989018011362","","","0.71073","MoKα","","0.0394","0.0345","","","0.0797","0.0845","","","","","","1.036","","","","has coordinates,has Fobs","227662","2020-10-21","18:00:00",""
"2243197","22.9297","0.0004","4.591","0.0001","7.09","0.0001","90","","90","","90","","746.37","0.02","95","","95","","","","","","","","","5","P m n 21","P 2ac -2","31","","Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate","","- C12 H17 N4 O6 P -","- C12 H17 N4 O6 P -","- C24 H34 N8 O12 P2 -","2","0.5","EB2010","Fábry, Jan","Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate","Acta Crystallographica Section E","2018","74","9","1295","1298","10.1107/S2056989018011192","","","1.54184","CuKα","","0.0188","0.0188","","","0.0535","0.0535","","","","","","2.21","","","","has coordinates,has Fobs","227663","2020-10-21","18:00:00",""
"2243630","19.9709","0.0014","7.2155","0.0005","17.1989","0.0012","90","","98.579","0.002","90","","2450.6","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis(5-fluoroindoline-2,3-dione 3-oximato-κ^2^<i>O</i>^2^,<i>N</i>^3^)-<i>trans</i>-bis(pyridine-κ<i>N</i>)copper(II)","","- C26 H18 Cu F2 N6 O4 -","- C26 H18 Cu F2 N6 O4 -","- C104 H72 Cu4 F8 N24 O16 -","4","0.5","","de Melo, Ana Paula Lopes; Bresolin, Leandro; Martins, Bianca Barreto; Gervini, Vanessa Carratu; de Oliveira, Adriano Bof","Crystal structure and Hirshfeld analysis of <i>trans</i>-bis(5-fluoroindoline-2,3-dione 3-oximato-κ^2^<i>O</i>^2^,<i>N</i>^3^)-<i>trans</i>-bis(pyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2018","74","4","428","432","10.1107/S2056989018003365","","","0.71073","MoKα","","0.0394","0.0326","","","0.0826","0.0864","","","","","","1.123","","","","has coordinates,has Fobs","258510","2020-10-21","05:06:45",""
"2243631","8.346","0.0017","9.2874","0.0019","10.171","0.002","104.32","0.03","90.28","0.03","109.6","0.03","716.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","[(5,16-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane-2,13-diyl)diacetamide-κ^4^<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^13^,<i>N</i>^17^]silver(II) dinitrate","","- C24 H46 Ag N8 O8 -","- C24 H46 Ag N8 O8 -","- C24 H46 Ag N8 O8 -","1","0.5","SJ5548","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of [2,13-bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane-κ^4^<i>N</i>]silver(II) dinitrate from synchrotron X-ray data","Acta Crystallographica Section E","2018","74","4","461","464","10.1107/S2056989018003560","","","0.61","synchrotron","","0.0493","0.0433","","","0.1117","0.1151","","","","","","1.049","","","","has coordinates,has Fobs","258511","2020-10-21","05:07:37",""
"2243632","7.4207","0.0003","18.7599","0.0007","11.6463","0.0004","90","","100.887","0.004","90","","1592.12","0.11","108","2","108","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[diiodidomercury(II)]-μ-2,2'-dithiobis(pyridine <i>N</i>-oxide)-κ^2^<i>O</i>:<i>O</i>']","","- C10 H8 Hg I2 N2 O2 S2 -","- C10 H8 Hg I2 N2 O2 S2 -","- C40 H32 Hg4 I8 N8 O8 S8 -","4","1","IS5492","Seidel, Rüdiger W.; Oppel, Iris M.","Crystal structure of <i>catena</i>-poly[[diiodidomercury(II)]-μ-2,2'-dithiobis(pyridine <i>N</i>-oxide)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2018","74","4","433","435","10.1107/S2056989018003055","","","0.71073","MoKα","","0.1001","0.0469","","","0.0483","0.0594","","","","","","1.018","","","","has coordinates,has Fobs","258512","2020-10-21","05:08:14",""
"2243633","6.9698","0.0001","10.6055","0.0002","10.8476","0.0002","98.784","0.002","97.636","0.002","108.308","0.002","738.21","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquachlorido(nitrato-κ^2^<i>O</i>,<i>O</i>')[1-(pyridin-2-yl-κ<i>N</i>)-2-(pyridin-2-ylmethylidene-κ<i>N</i>)hydrazine-κ<i>N</i>^2^]manganase(II)","","- C11 H12 Cl Mn N5 O4 -","- C11 H12 Cl Mn N5 O4 -","- C22 H24 Cl2 Mn2 N10 O8 -","2","1","EB2005","Sarr, Mamour; Diop, Mayoro; Thiam, Elhadj Ibrahima; Barry, Aliou Hamady; Gaye, Mohamed; Retailleau, Pascal","Crystal structure of aquachlorido(nitrato-κ^2^<i>O</i>,<i>O</i>')[1-(pyridin-2-yl-κ<i>N</i>)-2-(pyridin-2-ylmethylidene-κ<i>N</i>)hydrazine-κ<i>N</i>^2^]manganase(II)","Acta Crystallographica Section E","2018","74","4","450","453","10.1107/S2056989018003493","","","0.71073","MoKα","","0.0444","0.0337","","","0.0854","0.0907","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","258513","2020-10-21","05:08:38",""
"2243634","11.5404","0.0002","16.5073","0.0003","22.9519","0.0004","90","","95.0206","0.0009","90","","4355.58","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,2-Bis(η^5^-pentamethylcyclopentadienyl)-3,4-bis(trimethylsilyl)-2-zirconafuran-5-one-κ<i>O</i>^5^]triisobutylaluminium","","- C41 H75 Al O2 Si2 Zr -","- C41 H75 Al O2 Si2 Zr -","- C164 H300 Al4 O8 Si8 Zr4 -","4","1","","Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe; Beweries, Torsten; Shur, Vladimir B.","Synthesis and crystallographic characterization of [2,2-bis(η^5^-pentamethylcyclopentadienyl)-3,4-bis(trimethylsilyl)-2-zirconafuran-5-one-κ<i>O</i>^5^]triisobutylaluminium","Acta Crystallographica Section E","2018","74","4","566","568","10.1107/S2056989018004759","","","0.71073","MoKα","","0.0329","0.0256","","","0.0636","0.0676","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","258515","2020-10-21","05:09:54",""
"2243635","8.9703","0.0007","12.6433","0.0009","14.4233","0.0011","87.004","0.001","88.752","0.001","81.98","0.001","1617.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanolterbium(III) trichloride methanol disolvate","","- C26 H39 Cl3 N5 O8 Tb -","- C26 H39 Cl3 N5 O8 Tb -","- C52 H78 Cl6 N10 O16 Tb2 -","2","1","SU5429","Kachi-Terajima, Chihiro; Kimura, Norihisa","Crystal structures of two isotypic lanthanide(III) complexes: triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanollanthanide(III) trichloride methanol disolvates (<i>Ln</i>^III^ = Tb and Dy)","Acta Crystallographica Section E","2018","74","4","535","538","10.1107/S2056989018004103","","","0.71073","MoKα","","0.0318","0.0286","","","0.0672","0.069","","","","","","1.026","","","","has coordinates,has Fobs","258516","2020-10-21","05:10:44",""
"2243636","8.9852","0.0007","12.6242","0.001","14.3887","0.0012","87.062","0.001","88.81","0.001","82.068","0.001","1614.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanoldysprosium(III) trichloride methanol disolvate","","- C26 H39 Cl3 Dy N5 O8 -","- C26 H39 Cl3 Dy N5 O8 -","- C52 H78 Cl6 Dy2 N10 O16 -","2","1","SU5429","Kachi-Terajima, Chihiro; Kimura, Norihisa","Crystal structures of two isotypic lanthanide(III) complexes: triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanollanthanide(III) trichloride methanol disolvates (<i>Ln</i>^III^ = Tb and Dy)","Acta Crystallographica Section E","2018","74","4","535","538","10.1107/S2056989018004103","","","0.71073","MoKα","","0.0349","0.0301","","","0.0709","0.0728","","","","","","1.039","","","","has coordinates,has Fobs","258516","2020-10-21","05:10:45",""
"2243637","9.8129","0.0005","18.3694","0.0008","14.7122","0.0007","90","","99.769","0.002","90","","2613.5","0.2","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(diisopropylammonium) <i>cis</i>-diiodidobis(oxolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV)","","- C16 H32 I2 N2 O8 Sn -","- C16 H32 I2 N2 O8 Sn -","- C64 H128 I8 N8 O32 Sn4 -","4","1","HB7738","Sarr, Bougar; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Rousselin, Yoann","Crystal structure of bis(diisopropylammonium) <i>cis</i>-diiodidobis(oxolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV)","Acta Crystallographica Section E","2018","74","4","502","504","10.1107/S2056989018003602","","","0.71073","MoKα","","0.0231","0.0182","","","0.0359","0.0382","","","","","","1.125","","","","has coordinates,has Fobs","258517","2020-10-21","05:11:37",""
"2243638","14.8828","0.0015","19.983","0.002","22.392","0.002","80.469","0.002","87.417","0.002","74.798","0.002","6337.7","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ~2~-ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')\ bis(ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>,<i>O</i>')\ dilutetium <i>n</i>-heptane disolvate","","- C116 H200 Lu2 O24 P6 -","- C116 H200 Lu2 O24 P6 -","- C232 H400 Lu4 O48 P12 -","2","1","SU5432","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Crystal structure and catalytic activity of tetrakis(μ~2~-ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis(ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>,<i>O</i>')dilutetium <i>n</i>-heptane disolvate","Acta Crystallographica Section E","2018","74","4","543","547","10.1107/S2056989018004565","","","0.71073","MoKα","","0.1434","0.0628","","","0.1196","0.1468","","","","","","0.955","","","","has coordinates,has Fobs","258518","2020-10-21","05:12:07",""
"2243639","9.7626","0.0003","10.9008","0.0004","22.0679","0.0007","90","","98.0315","0.0014","90","","2325.43","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-{[(8-Aminonaphthalen-1-yl)imino]methyl}-4,6-di-<i>tert</i>-butylphenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)bromidonickel(II)","","- C25 H29 Br N2 Ni O -","- C25 H29 Br N2 Ni O -","- C100 H116 Br4 N8 Ni4 O4 -","4","1","WM5439","O'Brien, Patrick; Zeller, Matthias; Lee, Wei-Tsung","Crystal structure of (2-{[(8-aminonaphthalen-1-yl)imino]methyl}-4,6-di-<i>tert</i>-butylphenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)bromidonickel(II)","Acta Crystallographica Section E","2018","74","4","469","473","10.1107/S2056989018003651","","","0.71073","MoKα","","0.0592","0.0459","","","0.119","0.1276","","","","","","1.068","","","","has coordinates,has Fobs","258519","2020-10-21","05:12:34",""