# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T04:08:12+01:00
# 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 = 81 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
"2023324","20.128","0.004","19.816","0.004","13.429","0.003","90","","90","","90","","5356.2","1.9","243.15","","243.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>p</i>-Xylene@silicalite-1","<i>p</i>-Xylene@silicalite-1","","- C16 H20 O48 Si24 -","- C16 H20 O48 Si24 -","- C64 H80 O192 Si96 -","4","1","TX2091","Hwang, In-Chul","Crystal structure of p-xylene@silicalite-1","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011642","","","0.7","synchrotron","","0.0305","0.0277","","","0.0775","0.0789","","","","","","1.041","","","","has coordinates","296212","2024-12-04","02:49:49",""
"2023325","9.0322","0.0002","13.974","0.0003","16.0004","0.0004","90","","90","","90","","2019.51","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-amino-1-methyl-1<i>H</i>-\ benzimidazole-κ<i>N</i>^3^)copper(II)","","- C18 H23 Cu N3 O4 -","- C18 H23 Cu N3 O4 -","- C72 H92 Cu4 N12 O16 -","4","0.5","TX2089","Siddikova, Kyzlarkhan; Ziyatov, Daminbek; Tojiboev, Akmaljon; Ashurov, Jamshid; Kadirova, Zukhra; Daminova, Shahlo","Synthesis, crystal structure and Hirshfeld surface analysis of bis(acetylacetonato-κ2 O,O′)(2-amino-1-methyl-1H-benzimidazole-κN 3)copper(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011538","","","1.54184","CuKα","","0.044","0.0362","","","0.1029","0.1093","","","","","","1.0436","","","","has coordinates","296213","2024-12-04","02:50:07",""
"2023326","9.6337","0.0001","9.8825","0.0002","12.8446","0.0003","87.546","0.002","86.605","0.001","70.914","0.003","1153.26","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-3-[4-(Diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C60 H46 N2 O4 -","2","1","WM5735","Madhan, Sundarasamy; Nizam Mohideen, Mohamed Hanifa; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011721","","","0.71073","MoKα","","0.0573","0.0416","","","0.1079","0.1202","","","","","","1.033","","","","has coordinates,has disorder","296251","2024-12-06","02:47:40",""
"2023327","7.0271","0.0001","19.2243","0.0001","17.7558","0.0001","90","","97.332","0.001","90","","2379.04","0.04","100","0.4","100","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,3,4,4,5,5-Heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene","","- C20 H9 F21 O3 -","- C20 H9 F21 O3 -","- C80 H36 F84 O12 -","4","1","HB8112","Peloquin, Andrew J.; Balaich, Gary J.; Jennings, Abby R.","Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011484","","x-ray","1.54184","CuKα","","0.0402","0.0373","","","0.0868","0.0879","","","","","","1.0712","","","","has coordinates","296252","2024-12-06","02:48:00",""
"2023330","8.4947","0.0004","8.3064","0.0005","21.6425","0.0014","90","","96.15","0.005","90","","1518.31","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[bis(<i>N</i>,<i>O</i>-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]]","","- C4 H16 Br4 N2 O2 Sn -","- C4 H16 Br4 N2 O2 Sn -","- C16 H64 Br16 N8 O8 Sn4 -","4","0.5","WM5741","Sirenko, Valerii Y.; Apostu, Mircea-Odin; Golenya, Irina A.; Naumova, Dina D.; Partsevska, Sofiia V.","Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024012027","","x-ray","0.71073","MoKα","","0.0745","0.0457","","","0.0788","0.0905","","","","","","1.058","","","","has coordinates","296869","2024-12-14","02:52:55",""
"2023331","9.1493","0.0002","12.3058","0.0003","20.1432","0.0005","76.076","0.002","84.791","0.002","71.829","0.002","2091.19","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","4-{[(4-{[1-({[(3,4-Dimethoxyphenyl)methyl](3-acetamidophenyl)carbamoyl}methyl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}-3-methoxyphenyl)methyl]amino}benzoic acid–acetonitrile–water (1/2/2)","","- C41 H48 N8 O10 -","- C41 H48 N8 O10 -","- C82 H96 N16 O20 -","2","1","EV2012","Filley, Jonathan","Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011915","","","1.54184","CuKα","","0.0521","0.0452","","","0.1217","0.1301","","","","","","1.038","","","","has coordinates","296870","2024-12-14","02:53:37",""
"2023332","7.9334","0.0002","15.4735","0.0006","15.4898","0.0006","90","","90","","90","","1901.49","0.11","170.15","","170.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","Poly[di-μ-bromido-(μ-2,5-dimethylpyrazine)cadmium(II)]","","- C6 H8 Br2 Cd N2 -","- C6 H8 Br2 Cd N2 -","- C48 H64 Br16 Cd8 N16 -","8","0.5","HB8115","Näther, Christian","Synthesis, crystal structure and thermal properties of poly[di-μ-bromido-(μ-2,5-dimethylpyrazine)cadmium(II)]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011824","","","0.71073","MoKα","","0.0394","0.0326","","","0.0835","0.0875","","","","","","1.132","","","","has coordinates","296871","2024-12-14","02:54:24",""
"2023333","9.3994","0.0002","10.8016","0.0003","15.2355","0.0004","104.272","0.002","99.186","0.002","101.529","0.002","1432.86","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido{1,1'-[(3-fluorophenyl)methylene]bis[3-(3-fluorophenyl)imidazo[1,5-<i>a</i>]pyridine]-κ^2^<i>N</i>,<i>N</i>'}copper(II)","","- C33 H21 Cl2 Cu F3 N4 -","- C33 H21 Cl2 Cu F3 N4 -","- C66 H42 Cl4 Cu2 F6 N8 -","2","1","WM5742","Le Thi Hong, Hai; Nguyen Van, Hau; Hoang Tuan, Duong; Tran Quang, Hung; Dang Thanh, Tuan; Van Meervelt, Luc","Syntheses, structures and anticancer activities of CuII and ZnII complexes containing 1,1′-[(3-fluorophenyl)methylene]bis[3-(3-fluorophenyl)imidazo[1,5-a]pyridine]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011617","","x-ray","0.71073","MoKα","","0.0451","0.0352","","","0.0827","0.0889","","","","","","1.07","","","","has coordinates","296872","2024-12-14","02:55:39",""
"2023334","8.1431","0.0002","8.8362","0.0002","25.1787","0.0007","90","","97.264","0.002","90","","1797.17","0.08","100.02","0.1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(2-iodoethylammonium) [di-μ-iodido-diiodidogermanate(II)]]","","- C4 H14 Ge I6 N2 -","- C4 H14 Ge I6 N2 -","- C16 H56 Ge4 I24 N8 -","4","1","OO2009","Kucheriv, Olesia I.; Apostu, Mircea-Odin; Prysiazhna, Olena; Potaskalov, Vadim A.; Malinkin, Sergey O.","Crystal structure and Hirshfeld surface analysis of the layered hybrid metal halide poly[bis(2-iodoethylammonium) [di-μ-iodido-diiodidogermanate(II)]]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011800","","","0.71073","MoKα","","0.0421","0.0352","","","0.0861","0.0917","","","","","","1.189","","","","has coordinates","296873","2024-12-14","02:55:55",""
"2023335","5.195","0.0002","10.0347","0.0003","18.909","0.0006","90","","91.892","0.003","90","","985.19","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κ<i>O</i>}cobalt(II)","","- C10 H18 Co N4 O8 S4 -","- C10 H18 Co N4 O8 S4 -","- C20 H36 Co2 N8 O16 S8 -","2","0.5","WM5739","Kinshakova, Ekaterina; Torambetov, Batirbay; Kaur, Simranjeet; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011939","","x-ray","1.54184","CuKα","","0.045","0.0376","","","0.0911","0.0984","","","","","","1.064","","","","has coordinates","296911","2024-12-18","03:07:16",""
"2023336","20.1106","0.0012","9.2112","0.0004","19.2309","0.0012","90","","116.353","0.006","90","","3192.2","0.4","220","2","220.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(4-methylpyridine-κ<i>N</i>)cobalt(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C14 H14 Co N4 S2 -","- C14 H14 Co N4 S2 -","- C112 H112 Co8 N32 S16 -","8","1","OX2010","Näther, Christian; Boeckmann, Jan","Synthesis, crystal structure and properties of catena-poly[[bis(4-methylpyridine-κN)cobalt(II)]-di-μ-thiocyanato-κ2 N:S;κ2 S:N], which shows a rare coordination geometry","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024012003","","","0.71073","MoKα","","0.0427","0.0346","","","0.0902","0.0948","","","","","","1.041","","","","has coordinates","296912","2024-12-18","03:08:28",""
"2023337","29.0324","0.0008","9.1477","0.0002","15.0296","0.0004","90","","108.533","0.001","90","","3784.56","0.17","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Br F4 I2 N -","- C15 H20 Br F4 I2 N -","- C120 H160 Br8 F32 I16 N8 -","8","1","YZ2062","Gurbanov, Atash V.; Hökelek, Tuncer; Mammadova, Gunay Z.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Crystal structure and Hirshfeld surface analysis of supramolecular aggregate of 2,2,6,6-tetramethylpiperidin-1-ium bromide with 1,2,3,4-tetrafluoro-5,6-diiodobenzene","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011502","","","0.71073","MoKα","","0.0312","0.0262","","","0.067","0.0692","","","","","","1.1","","","","has coordinates","296913","2024-12-18","03:09:05",""
"2023338","16.2304","0.0009","6.5804","0.0003","13.2222","0.0007","90","","107.156","0.006","90","","1349.33","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Nitrophenyl)-2-(piperidin-1-yl)acetamide","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","VM2309","Maimoune, Imane; Kariuki, Benson M.; El Moutaouakil Ala Allah, Abderrazzak; Nchioua, Intissar; Alsubari, Abdulsalam; Mague, Joel T.; Zarrouk, Abdelkader; Ramli, Youssef","Crystal structure and Hirshfeld surface analysis of N-(4-nitrophenyl)-2-(piperidin-1-yl)acetamide (lidocaine analogue)","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S205698902401185X","","","0.71073","MoKα","","0.0833","0.0585","","","0.1625","0.1799","","","","","","1.058","","","","has coordinates","296958","2024-12-24","02:55:20",""
"2023340","9.8527","0.0001","28.716","0.0003","10.7754","0.0001","90","","109.085","0.002","90","","2881.11","0.06","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>anti</i>-4-(1^9^<i>H</i>,5^9^<i>H</i>-3-Aza-1,5(3,9)-dicarbazolacyclooctaphane-3-yl)benzonitrile (host molecule) dichloromethane monosolvate","10-(4-Cyanophenyl)-10,11,22,23-tetrahydro-9<i>H</i>,21<i>H</i>-5,8:15,12-bis(metheno)[1,5,11]triazacyclohexadecino[1,16-<i>a</i>:5,6-<i>a</i>']diindole dichloromethane monosolvate","","- C37 H30 Cl2 N4 -","- C37 H30 Cl2 N4 -","- C148 H120 Cl8 N16 -","4","1","OX2009","Kubono, Koji; Tani, Keita; Kashiwagi, Yukiyasu","Synthesis and crystal structure of anti-10-(4-cyanophenyl)-10,11,22,23-tetrahydro-9H,21H-5,8:15,12-bis(metheno)[1,5,11]triazacyclohexadecino[1,16-a:5,6-a′]diindole dichloromethane monosolvate","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","20","23","10.1107/S2056989024011782","","x-ray","1.54184","CuKα","","0.0374","0.0344","","","0.0884","0.0904","","","","","","1.053","","","","has coordinates","297028","2025-01-01","03:34:55",""
"2023341","9.0136","0.0001","8.1561","0.0001","10.8718","0.0001","90","","95.778","0.001","90","","795.189","0.015","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","Luliconazole","(<i>E</i>)-[(4<i>R</i>)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene](1<i>H</i>-imidazol-1-yl)acetonitrile","","- C14 H9 Cl2 N3 S2 -","- C14 H9 Cl2 N3 S2 -","- C28 H18 Cl4 N6 S4 -","2","1","VM2310","Ben, Anna; Chęcińska, Lilianna","Crystal structure of luliconazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","24","28","10.1107/S2056989024011812","","x-ray","1.54184","CuKα","","0.0256","0.0249","","","0.0688","0.0693","","","","","","1.065","","","","has coordinates,has disorder","297029","2025-01-01","03:35:39",""
"2023342","7.9935","0.0006","8.3181","0.0006","12.1998","0.0009","108.308","0.007","102.767","0.007","99.145","0.006","727.87","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ~2~-sulfato-κ^2^<i>O</i>^3^:<i>O</i>^4^]","","- C10 H24 N4 Ni O4 S -","- C10 H24 N4 Ni O4 S -","- C20 H48 N8 Ni2 O8 S2 -","2","1","HB8118","Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Bahrin, Lucian G.; Lampeka, Yaroslaw D.","Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012337","","x-ray","0.71073","MoKα","","0.053","0.0379","","","0.0716","0.0795","","","","","","1.019","","","","has coordinates","297060","2025-01-04","02:37:28",""
"2023343","12.1299","0.0005","18.5163","0.0011","35.621","0.002","90","","94.777","0.004","90","","7972.7","0.7","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ~2~-sulfato-κ^2^<i>O</i>^3^:<i>O</i>^4^] hemi[4,4',4'',4'''-(2,2',4,4',6,6'-hexamethyl-[1,1'-biphenyl]-3,3',5,5'-tetrayl)tetrabenzoic acid] nonahydrate]","","- C66 H86 N8 Ni2 O16 S2 -","- C66 H86 N8 Ni2 O16 S2 -","- C264 H344 N32 Ni8 O64 S8 -","4","0.5","HB8118","Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Bahrin, Lucian G.; Lampeka, Yaroslaw D.","Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012337","","x-ray","0.71073","MoKα","","0.1881","0.0769","","","0.096","0.1228","","","","","","0.985","","","","has coordinates,has disorder","297060","2025-01-04","02:37:29",""
"2023344","9.3527","0.0001","9.9701","0.0001","17.0496","0.0002","90","","90","","90","","1589.83","0.03","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","Ooly[di-μ~2~-nitrato-μ~2~-urea-strontium(II)]","","- C H4 N4 O7 Sr -","- C H4 N4 O7 Sr -","- C8 H32 N32 O56 Sr8 -","8","1","TX2092","Bektursinova, Aysanem; Djumanazarova, Zulfiya; Uzakbergenova, Zamira; Ashurov, Jamshid; Khan, Akram A.; Kadirova, Shakhnoza; Torambetov, Batirbay","Synthesis, crystal structure and Hirshfeld surface analysis of [Sr(urea)(NO3)2] n","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012386","","x-ray","1.54184","CuKα","","0.0213","0.0209","","","0.0544","0.0548","","","","","","1.07","","","","has coordinates","297206","2025-01-08","02:36:43",""
"2023345","7.0105","0.0004","13.2765","0.0008","8.1311","0.0005","90","","114.808","0.003","90","","686.96","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Nitrobenzo[<i>c</i>][1,2,5]selenadiazole","","- C6 H3 N3 O2 Se -","- C6 H3 N3 O2 Se -","- C24 H12 N12 O8 Se4 -","4","1","VU2008","Gurbanov, Atash V.; Hökelek, Tuncer; Mammadova, Gunay Z.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Crystal structure, Hirshfeld surface analysis and crystal voids of 4-nitrobenzo[c][1,2,5]selenadiazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012398","","","0.71073","MoKα","","0.0507","0.0435","","","0.1013","0.1038","","","","","","1.172","","","","has coordinates","297207","2025-01-08","02:37:00",""
"2023346","11.413","0.0001","17.1627","0.0001","31.7109","0.0002","90","","90","","90","","6211.46","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate","","- C36 H28 F6 Ir N4 P -","- C36 H28 F6 Ir N4 P -","- C288 H224 F48 Ir8 N32 P8 -","8","1","ZV2036","Gienau, Trevor J.; Clay, Malachi; Brennessel, William W.; Reed, Carly R.","(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate and (2,9-dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012039","","x-ray","1.54184","CuKα","","0.0245","0.0241","","","0.0595","0.0598","","","","","","1.164","","","","has coordinates","297318","2025-01-15","02:28:45",""
"2023347","9.17379","0.00007","13.10065","0.00009","16.55352","0.00014","74.8888","0.0006","78.9993","0.0007","88.7599","0.0006","1884.53","0.03","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","(2,9-Dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)","","- C42 H40.44 F6 Ir N4.78 O0.61 P -","- C42 H40.44 F6 Ir N4.78 O0.61 P -","- C84 H80.88 F12 Ir2 N9.56 O1.22 P2 -","2","1","ZV2036","Gienau, Trevor J.; Clay, Malachi; Brennessel, William W.; Reed, Carly R.","(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate and (2,9-dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012039","","x-ray","1.54184","CuKα","","0.027","0.0259","","","0.0661","0.0667","","","","","","1.039","","","","has coordinates,has disorder","297318","2025-01-15","02:28:46",""
"2023348","7.0317","0.0001","9.78938","0.00018","14.444","0.0003","87.5944","0.0015","84.7254","0.0013","72.0372","0.0014","941.7","0.03","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenyl)-2,2-dichloroethan-1-one","","- C8 H5 Br Cl2 O -","- C8 H5 Br Cl2 O -","- C32 H20 Br4 Cl8 O4 -","4","2","NX2018","Gurbanov, Atash V.; Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Syntheses, crystal structures, Hirshfeld surface analyses and crystal voids of 1-(4-bromophenyl)-2,2-dichloroethan-1-one and 2,2-dibromo-1-(p-tolyl)ethan-1-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S205698902500012X","","x-ray","1.54184","CuKα","","0.0313","0.031","","","0.0846","0.0848","","","","","","1.1","","","","has coordinates","297319","2025-01-15","02:29:09",""
"2023349","6.6243","0.0001","9.9574","0.0001","14.3804","0.0002","90","","92.52","0.001","90","","947.63","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2-Dibromo-1-(<i>p</i>-tolyl)ethan-1-one","2,2-Dibromo-1-(4-methylphenyl)ethan-1-one","","- C9 H8 Br2 O -","- C9 H8 Br2 O -","- C36 H32 Br8 O4 -","4","1","NX2018","Gurbanov, Atash V.; Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Syntheses, crystal structures, Hirshfeld surface analyses and crystal voids of 1-(4-bromophenyl)-2,2-dichloroethan-1-one and 2,2-dibromo-1-(p-tolyl)ethan-1-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S205698902500012X","","x-ray","1.54184","CuKα","","0.0274","0.0268","","","0.0701","0.0705","","","","","","1.075","","","","has coordinates","297319","2025-01-15","02:29:10",""
"2023350","15.7143","0.0005","11.6386","0.0004","13.0138","0.0005","90","","115.227","0.002","90","","2153.12","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","","- C24 H16 Cl2 Cu N4 O4 -","- C24 H16 Cl2 Cu N4 O4 -","- C96 H64 Cl8 Cu4 N16 O16 -","4","0.5","WM5744","Plutenko, Maksym O.; Vynohradov, Oleksandr S.; Haukka, Matti; Golenya, Irina A.; Gaidai, Snizhana V.","Crystal structure and Hirshfeld surface analysis of a new polymorph of chloridobis(1,10-phenanthroline-κ2 N,N′)copper(II) perchlorate","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000209","","","0.71073","MoKα","","0.0614","0.0439","","","0.0965","0.1049","","","","","","1.06","","","","has coordinates","297320","2025-01-15","02:29:28",""
"2023351","7.5164","0.0005","7.8002","0.0005","15.1156","0.001","96.172","0.006","92.052","0.005","96.284","0.005","874.77","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)","","- C18 H14 Cl2 N2 O2 Zn -","- C18 H14 Cl2 N2 O2 Zn -","- C36 H28 Cl4 N4 O4 Zn2 -","2","1","HB8119","Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000180","","x-ray","0.71073","MoKα","","0.0747","0.0488","","","0.1087","0.1237","","","","","","1.062","","","","has coordinates","297321","2025-01-15","02:30:21",""
"2023352","17.1095","0.001","7.202","0.0006","14.9534","0.0011","90","","96.472","0.006","90","","1830.9","0.2","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dibromidobis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)","","- C18 H14 Br2 N2 O2 Zn -","- C18 H14 Br2 N2 O2 Zn -","- C72 H56 Br8 N8 O8 Zn4 -","4","0.5","HB8119","Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000180","","x-ray","0.71073","MoKα","","0.0604","0.0519","","","0.1335","0.1407","","","","","","1.027","","","","has coordinates","297321","2025-01-15","02:30:25",""
"2023353","7.7325","0.0003","8.9596","0.0004","14.8297","0.0009","93.205","0.004","99.873","0.004","104.852","0.004","972.98","0.09","170","","170","","","","","","","","","6","P -1","-P 1","2","","Diiodidobis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)","","- C18 H14 I2 N2 O2 Zn -","- C18 H14 I2 N2 O2 Zn -","- C36 H28 I4 N4 O4 Zn2 -","2","1","HB8119","Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000180","","x-ray","0.71073","MoKα","","0.0248","0.0201","","","0.0463","0.0481","","","","","","1.032","","","","has coordinates","297321","2025-01-15","02:30:34",""
"2023354","12.8217","0.0004","12.8217","0.0004","26.5684","0.0009","90","","90","","120","","3782.6","0.2","170","","170","","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) bis(perchlorate)","","- C54 H42 Cl2 N6 O14 Zn -","- C54 H42 Cl2 N6 O14 Zn -","- C162 H126 Cl6 N18 O42 Zn3 -","3","0.166667","HB8119","Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000180","","x-ray","0.71073","MoKα","","0.0301","0.0277","","","0.075","0.0767","","","","","","1.063","","","","has coordinates","297321","2025-01-15","02:30:34",""
"2023355","9.736","0.0009","11.591","0.0009","14.6381","0.001","74.352","0.006","74.62","0.007","81.633","0.007","1528.8","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","Pentaaqua(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) dinitrate–isoquinoline <i>N</i>-oxide (1/2)","","- C27 H31 N5 O14 Zn -","- C27 H31 N5 O14 Zn -","- C54 H62 N10 O28 Zn2 -","2","1","HB8119","Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000180","","x-ray","0.71073","MoKα","","0.0673","0.0444","","","0.0953","0.1059","","","","","","1.039","","","","has coordinates","297321","2025-01-15","02:30:35",""
"2023356","8.9895","0.0003","11.8589","0.0003","17.6765","0.0005","90","","102.419","0.0011","90","","1840.32","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4'-Methylenebis(2,6-diethylaniline)","4,4'-(Methanediyl)bis(2,6-diethylaniline)","","- C21 H30 N2 -","- C21 H30 N2 -","- C84 H120 N8 -","4","1","NY2009","Smirnov, Daniil E.; Morozov, Oleg S.; Afanasyeva, Ekaterina S.; Avdeev, Viktor V.","Synthesis and crystal structures of 4,4′-methylenebis(2,6-diethylaniline) and 4,4′-methylenebis(3-chloro-2,6-diethylaniline)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000234","","","1.54178","CuKα","","0.0525","0.0495","","","0.132","0.1345","","","","","","1.026","","","","has coordinates,has disorder","297375","2025-01-18","02:35:16",""
"2023357","8.993","0.003","9.654","0.0013","12.216","0.004","69.352","0.011","77.257","0.012","87.67","0.008","967.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4'-Methylenebis(3-chloro-2,6-diethylaniline)","4,4'-(MethAnediyl)bis(3-chloro-2,6-diethylaniline)","","- C21 H28 Cl2 N2 -","- C21 H28 Cl2 N2 -","- C42 H56 Cl4 N4 -","2","1","NY2009","Smirnov, Daniil E.; Morozov, Oleg S.; Afanasyeva, Ekaterina S.; Avdeev, Viktor V.","Synthesis and crystal structures of 4,4′-methylenebis(2,6-diethylaniline) and 4,4′-methylenebis(3-chloro-2,6-diethylaniline)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000234","","","0.75268","synchrotron","","0.0643","0.0506","","","0.1375","0.1471","","","","","","1.05","","","","has coordinates,has disorder","297375","2025-01-18","02:35:19",""
"2023358","10.1221","0.0005","13.6533","0.0004","6.6248","0.0003","90","","90","","90","","915.55","0.07","295","","295","","","","","","","","","5","P b c m","-P 2c 2b","57","2-Methylquinazolin-4(3<i>H</i>)-one hydrochloride","2-Methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride","","- C9 H9 Cl N2 O -","- C9 H9 Cl N2 O -","- C36 H36 Cl4 N8 O4 -","4","0.5","WM5743","Davlatboev, Muzaffar; Allabergenova, Sevara; Zulpanov, Fazliddin; Yakubov, Ubaydullo; Tojiboev, Akmaljon; Sattarov, Tulkinjon","Crystal structure and Hirshfeld surface analysis of 2-methylquinazolin-4(3H)-one hydrochloride","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000258","","","1.54184","CuKα","","0.0503","0.0432","","","0.1251","0.1326","","","","","","1.0084","","","","has coordinates","297376","2025-01-18","02:35:41",""
"2023359","17.91596","0.00013","11.08917","0.00009","17.25666","0.00013","90","","90","","90","","3428.43","0.05","100.15","","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(acetic acid)bis(μ-5-carboxythiophene-2-carboxylato)bis(μ-thiophene-2,5-dicarboxylato)dicerium(III)]","","- C26 H14 Ce2 O18 S4 -","- C26 H14 Ce2 O18 S4 -","- C104 H56 Ce8 O72 S16 -","4","1","NX2017","Ruser, Niklas; Näther, Christian; Stock, Norbert","Syntheses and crystal structures of the cerium-based coordination polymers poly[(acetic acid)bis(μ-5-carboxythiophene-2-carboxylato)bis(μ-thiophene-2,5-dicarboxylato)dicerium(III)] and poly[(μ-acetato)aqua(μ4-thiophene-2,5-dicarboxylato)cerium(III)]","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000210","","x-ray","1.54184","CuKα","","0.0241","0.024","","","0.0673","0.0673","","","","","","1.054","","","","has coordinates","297377","2025-01-18","02:36:04",""
"2023360","10.031","0.0001","14.6755","0.0001","7.6765","0.0001","90","","102.354","0.001","90","","1103.89","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-acetato)aqua(μ~4~-thiophene-2,5-dicarboxylato)cerium(III)]","","- C8 H7 Ce O7 S -","- C8 H7 Ce O7 S -","- C32 H28 Ce4 O28 S4 -","4","1","NX2017","Ruser, Niklas; Näther, Christian; Stock, Norbert","Syntheses and crystal structures of the cerium-based coordination polymers poly[(acetic acid)bis(μ-5-carboxythiophene-2-carboxylato)bis(μ-thiophene-2,5-dicarboxylato)dicerium(III)] and poly[(μ-acetato)aqua(μ4-thiophene-2,5-dicarboxylato)cerium(III)]","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000210","","x-ray","1.54184","CuKα","","0.0266","0.0265","","","0.0771","0.0772","","","","","","1.153","","","","has coordinates","297377","2025-01-18","02:36:05",""
"2023361","8.5014","0.0002","12.8233","0.0003","13.6364","0.0003","107.689","0.002","107.067","0.002","92.749","0.002","1338.49","0.06","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","Tris(2-iodoethylammonium) hexaiodidobismuthate(III)","","- C6 H21 Bi I9 N3 -","- C6 H21 Bi I9 N3 -","- C12 H42 Bi2 I18 N6 -","2","1","WM5745","Kucheriv, Olesia I.; Ovdenko, Valeriia M.; Kuzevanova, Iryna S.; Golenya, Irina A.; Gural'skiy, Il'ya A.","Crystal structure and Hirshfeld surface analysis of the organic–inorganic hybrid compound tris(2-iodoethylammonium) hexaiodidobismuthate(III)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000386","","","0.71073","MoKα","","0.0291","0.0247","","","0.0476","0.0491","","","","","","1.037","","","","has coordinates","297453","2025-01-24","03:09:54",""
"2023362","5.6812","0.00009","9.79735","0.00016","30.9679","0.0007","84.834","0.0016","86.9814","0.0016","83.8568","0.0014","1705.22","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,2,2-Trichloroethyl <i>N</i>-{4-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]benzyl}carbamate","","- C14 H14 Cl3 N5 O3 -","- C14 H14 Cl3 N5 O3 -","- C56 H56 Cl12 N20 O12 -","4","2","DJ2079","Voss, J.; Stammler, H.G.; Sewald, N.","Synthesis and crystal structure of 2,2,2-trichloroethyl N-{4-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]benzyl}carbamate","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000441","","x-ray","1.54184","CuKα","","0.0715","0.0692","","","0.2018","0.2064","","","","","","1.046","","","","has coordinates,has disorder","297454","2025-01-24","03:10:09",""
"2023363","16.1416","0.0005","12.8991","0.0004","19.0656","0.0005","90","","107.416","0.001","90","","3787.71","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Oxo-<i>N</i>-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1'-biphenyl]-4-carboxamide","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C184 H152 N8 O16 S8 -","8","2","WM5747","Aliyeva, Khatira N.; Hökelek, Tuncer; Khrustalev, Victor N.; Rzayev, Rovnag M.; Bhattarai, Ajaya; Maharramov, Abel M.; Shikhaliyev, Namig G.","Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamide","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S205698902500057X","","","0.71073","MoKα","","0.0549","0.0495","","","0.1247","0.1285","","","","","","1.03","","","","has coordinates,has disorder","297518","2025-01-29","03:24:24",""
"2023364","17.2598","0.0003","10.0898","0.0001","13.181","0.0002","90","","90","","90","","2295.44","0.06","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","5,10-Bis(phenylsulfonyl)tetrahydrodibenzopentalene","8,16-Bis(benzenesulfonyl)tetracyclo[7.7.0.0^2,7^.0^10,15^]hexadeca-2,4,6,10(15),11,13-hexaene","","- C28 H22 O4 S2 -","- C28 H22 O4 S2 -","- C112 H88 O16 S8 -","4","1","OX2012","Sakami, Toshiki; Watanabe, Hikaru; Sato, Takuma; Okuda, Yasuhiro; Wakamatsu, Kan; Akashi, Haruo; Orita, Akihiro","Synthesis and crystal structure of 5,10-bis(phenylsulfonyl)tetrahydrodibenzopentalene","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S205698902500060X","","x-ray","0.71073","MoKα","","0.0346","0.0306","","","0.0796","0.0878","","","","","","1.125","","","","has coordinates","297519","2025-01-29","03:24:41",""
"2023365","7.4512","0.0005","14.7799","0.00012","15.8912","0.00011","90","","90","","90","","1750.07","0.12","99.9","0.4","99.9","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-1,3-dihydro-2<i>H</i>-benzo[<i>d</i>]imidazole-2-thione","","- C9 H10 N2 S -","- C9 H10 N2 S -","- C72 H80 N16 S8 -","8","2","PK2714","Gurbanov, Atash V.; Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989025000519","","x-ray","1.54184","CuKα","","0.0258","0.0257","","","0.0689","0.069","","","","","","1.063","","","","has coordinates","297520","2025-01-29","03:24:55",""
"2023486","6.6576","0.0001","17.1463","0.0002","15.8105","0.0002","90","","98.935","0.001","90","","1782.92","0.04","160","0.1","160","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-{3-[2-(2-Oxooxazolidin-3-yl)ethoxy]quinoxalin-2-yloxy}ethyl)oxazolidin-2-one","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C72 H80 N16 O24 -","4","1","HB8134","Aboutofil, Fatima Ezzahra; Mustaphi, Nour El Hoda; Blacque, Olivier; Hökelek, Tuncer; Mazzah, Ahmed; El Ghayati, Lhoussaine; Sebbar, Nada Kheira","Synthesis and crystal structure of 3-(2-{3-[2-(2-oxooxazolidin-3-yl)ethoxy]quinoxalin-2-yloxy}ethyl)oxazolidin-2-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003755","","x-ray","1.54184","CuKα","","0.0406","0.0379","","","0.0962","0.0994","","","","","","1.064","","","","has coordinates","299501","2025-05-03","01:46:50",""
"2023487","38.722","0.003","10.4622","0.0007","23.891","0.0016","90","","106.978","0.008","90","","9256.8","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Perethoxy-prism[6]arene 1,6-dichlorohexane disolvate","","- C102 H120 Cl4 O12 -","- C102 H120 Cl4 O12 -","- C408 H480 Cl16 O48 -","4","0.5","DX2066","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Crystal structures and supramolecular interactions of prism[6]arene-based host–guest systems with dihalohexanes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003767","","","0.71075","MoKα","","0.1611","0.0711","","","0.1532","0.1866","","","","","","0.996","","","","has coordinates,has disorder","299502","2025-05-03","01:47:31",""
"2023488","38.728","0.003","10.5427","0.0006","24.0234","0.0016","90","","106.814","0.008","90","","9389.4","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Perethoxy-prism[6]arene 1,6-diiodohexane disolvate","","- C102 H120 I4 O12 -","- C102 H120 I4 O12 -","- C408 H480 I16 O48 -","4","0.5","DX2066","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Crystal structures and supramolecular interactions of prism[6]arene-based host–guest systems with dihalohexanes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003767","","","0.71075","MoKα","","0.1402","0.0685","","","0.1633","0.1924","","","","","","1.016","","","","has coordinates","299502","2025-05-03","01:47:32",""
"2023489","10.0036","0.0005","15.8231","0.0007","6.9325","0.0003","90","","99.808","0.002","90","","1081.29","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[3,10-Bis(3-carboxypropyl)-1,3,5,8,10,12-hexaazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^]dichloridocopper(II)","","- C16 H34 Cl2 Cu N6 O4 -","- C16 H34 Cl2 Cu N6 O4 -","- C32 H68 Cl4 Cu2 N12 O8 -","2","0.5","HB8137","Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Stoica, Alexandru-Constantin; Lampeka, Yaroslaw D.","Synthesis and structural characterization of the dichloride complex formed by carboxy-functionalized Cu(diazacyclam)2+ cation and its heterometallic coordination polymer with CdCl2","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003792","","","0.71073","MoKα","","0.0447","0.0292","","","0.0608","0.0667","","","","","","1.054","","","","has coordinates","299503","2025-05-03","01:47:56",""
"2023490","10.1565","0.0004","10.4249","0.0005","14.6531","0.0007","80.305","0.003","80.117","0.003","64.149","0.003","1367.82","0.11","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","Poly[[aqua[μ~3~-3,10-bis(3-carboxypropyl)-1,3,5,8,10,12-hexaazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^:κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>''']-μ-chloridocopper(II)cadmium(II]] 1.25-hydrate]","","- C16 H36.5 Cd Cl2 Cu N6 O6.25 -","- C16 H36.5 Cd Cl2 Cu N6 O6.25 -","- C32 H73 Cd2 Cl4 Cu2 N12 O12.5 -","2","1","HB8137","Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Stoica, Alexandru-Constantin; Lampeka, Yaroslaw D.","Synthesis and structural characterization of the dichloride complex formed by carboxy-functionalized Cu(diazacyclam)2+ cation and its heterometallic coordination polymer with CdCl2","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003792","","","0.71073","MoKα","","0.0783","0.0496","","","0.1298","0.1487","","","","","","1.037","","","","has coordinates,has disorder","299503","2025-05-03","01:47:58",""
"2023491","10.6654","0.0012","13.5974","0.0015","15.7917","0.0017","109.206","0.002","101.687","0.002","107.789","0.002","1938.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,1'-[Oxybis(ethane-2,1-diyl)]bis(2-methylsulfanyl-1<i>H</i>-benzo[<i>d</i>]imidazole)","","- C20 H22 N4 O S2 -","- C20 H22 N4 O S2 -","- C80 H88 N16 O4 S8 -","4","2","VM2313","Moussaif, Ahmed; El Ghayati, Lhoussaine; Kalonji Mubengayi, Camille; Alsubari, Abdulsalam; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 1,1′-[oxybis(ethane-2,1-diyl)]bis(2-methylsulfanyl-1H-benzo[d]imidazole)","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003809","","","0.71073","MoKα","","0.1065","0.0678","","","0.1873","0.1987","","","","","","0.999","","","","has coordinates,has disorder","299504","2025-05-03","01:48:22",""
"2023492","15.9012","0.0003","11.0897","0.0002","18.9475","0.0005","90","","109.182","0.003","90","","3155.69","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(2-aminobenzoxazole-κ<i>N</i>^1^)bis(nitrato-κ<i>O</i>)cadmium(II)","","- C28 H24 Cd N10 O10 -","- C28 H24 Cd N10 O10 -","- C112 H96 Cd4 N40 O40 -","4","0.5","WM5756","Razzoqova, Surayyo; Ruzimov, Yodgor; Toshov, Akobir; Torambetov, Batirbay; Ibragimov, Aziz; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure and Hirshfeld surface analysis of a coordination compound of cadmium nitrate with 2-aminobenzoxazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004049","","x-ray","1.54184","CuKα","","0.0632","0.0486","","","0.1182","0.1278","","","","","","1.013","","","","has coordinates","299611","2025-05-10","01:49:57",""
"2023493","16.429","0.0002","8.05961","0.0001","13.72324","0.00016","90","","106.758","0.0014","90","","1739.94","0.04","299.99","0.1","299.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>'-2,3,8,9-Bismethylsuccinimide-11,12-dihydrodibenzo[<i>c</i>,<i>g</i>][1,2]diazocine","8,19-Dimethyl-2,3,8,19-tetraazapentacyclo[13.7.0.0^4,12^.0^6,10^.0^17,21^]docosa-1(15),2,4(12),5,10,16,21-heptaene-7,9,18,20-tetrone","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C80 H56 N16 O16 -","4","1","HB8139","Näther, Christian; Businski, Artjom; Herges, Rainer","Reversible phase transition in 8,19-dimethyl-2,3,8,19-tetraazapentacyclo[13.7.0.04,12.06,10.017,21]docosa-1(15),2,4(12),5,10,16,21-heptaene-7,9,18,20-tetrone","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003998","","x-ray","1.54184","CuKα","","0.0411","0.0393","","","0.1074","0.109","","","","","","1.061","","","","has coordinates","299612","2025-05-10","01:50:18",""
"2023494","7.9465","0.0002","13.7201","0.0003","16.2592","0.0006","106.993","0.002","90.914","0.003","90.1121","0.0019","1695.04","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C80 H56 N16 O16 -","4","2","HB8139","Näther, Christian; Businski, Artjom; Herges, Rainer","Reversible phase transition in 8,19-dimethyl-2,3,8,19-tetraazapentacyclo[13.7.0.04,12.06,10.017,21]docosa-1(15),2,4(12),5,10,16,21-heptaene-7,9,18,20-tetrone","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003998","","x-ray","1.54184","CuKα","","0.0419","0.0413","","","0.1161","0.1167","","","","","","1.071","","","","has coordinates","299612","2025-05-10","01:50:20",""
"2023495","13.9944","0.0008","11.0371","0.0007","9.056","0.0005","90","","99.936","0.002","90","","1377.79","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Cyano-<i>N</i>'-(3,4,5-trimethoxybenzylidene)acetohydrazide","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","TX2097","Maheswari, Subramani Uma; Senthilkumar, Srinivasan; Selvanayagam, Sivashanmugam","Crystal structure and Hirshfeld surface analysis of (E)-2-cyano-N′-(3,4,5-trimethoxybenzylidene)acetohydrazide","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003913","","","0.71073","MoKα","","0.1228","0.053","","","0.115","0.1558","","","","","","1.054","","","","has coordinates","299613","2025-05-10","01:50:42",""
"2023496","10.5367","0.0004","10.9088","0.0005","14.1593","0.0007","92.782","0.004","109.796","0.004","104.077","0.004","1469.98","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-thiosemicarbazide-κ^3^<i>N</i>^1^,<i>S</i>:<i>S</i>;κ^3^<i>S</i>:<i>N</i>^1^,<i>S</i>)bis[(dimethylformamide-κ<i>O</i>)(thiosemicarbazide-κ^2^<i>N</i>^1^,<i>S</i>)cadmium(II)] tetrakis(2,4,6-trinitrophenolate)","","- C34 H42 Cd2 N26 O30 S4 -","- C34 H42 Cd2 N26 O30 S4 -","- C34 H42 Cd2 N26 O30 S4 -","1","0.5","HB8138","Santhakumaria, R.; Ramamurthi, K.; Kaur, Manpreet; Jasinski, Jerry P.; Sagadevane, Suresh; Stoeckli-Evans, Helen","Bis(μ-thiosemicarbazide-κ3 N 1,S:S;κ3 S:N 1,S)bis[(dimethylformamide-κO)(thiosemicarbazide-κ2 N 1,S)cadmium(II)] tetrakis(2,4,6-trinitrophenolate): synthesis, crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003974","","x-ray","1.54184","CuKα","","0.0421","0.0371","","","0.0913","0.0952","","","","","","1.019","","","","has coordinates,has disorder","299647","2025-05-14","01:56:36",""
"2023497","7.6956","0.0003","8.6895","0.0004","8.9468","0.0004","74.633","0.002","83.237","0.002","73.008","0.002","551.18","0.04","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","1-(4-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one","","- C11 H11 F O S2 -","- C11 H11 F O S2 -","- C22 H22 F2 O2 S4 -","2","1","NX2025","Mohan Kumar, Thaluru M.; Bhaskar, Besagarahally L.; Bhavya, Papegowda; Divakara, Thayamma R.; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld-surface analysis of 1-(4-fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004189","","","0.71073","MoKα","","0.0265","0.0247","","","0.0632","0.0645","","","","","","1.108","","","","has coordinates","299648","2025-05-14","01:56:52",""
"2023498","11.5409","0.0007","10.9018","0.0006","14.3799","0.0008","90","","103.427","0.002","90","","1759.78","0.17","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3,4,5-Trihydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide monohydrate","","- C17 H20 N2 O8 -","- C17 H20 N2 O8 -","- C68 H80 N8 O32 -","4","1","TX2096","Lo, Mamadou; Sene, Bineta; Pouye, Adji Fatou Fall; Lee, Arie van der; Gassama, Abdoulaye; Richeter, Sébastien","Synthesis and structure of (E)-3,4,5-trihydroxy-N′-(3,4,5-trimethoxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004001","","","0.71073","MoKα","","0.055","0.0349","","","0.0551","0.0621","","","","","","1.084","","","","has coordinates,has disorder","299649","2025-05-14","01:57:35",""
"2023499","15.1487","0.0001","9.2389","0.0001","10.8661","0.0001","90","","94.242","0.001","90","","1516.62","0.02","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chloromethyl 2-[2-(2,6-dichlorophenylamino)phenyl]acetate","","- C15 H12 Cl3 N O2 -","- C15 H12 Cl3 N O2 -","- C60 H48 Cl12 N4 O8 -","4","1","NU2009","Keydel, Tobias; Bandaru, Siva S. M.; Schulig, Lukas; Link, Andreas; Schulzke, Carola","Crystal structure of chloromethyl 2-[2-(2,6-dichlorophenylamino)phenyl]acetate","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004074","","","1.54184","CuKα","","0.0319","0.0307","","","0.0799","0.0809","","","","","","1.071","","","","has coordinates","299650","2025-05-14","01:58:09",""
"2023500","12.4498","0.0005","14.5714","0.0006","22.1464","0.001","90","","97.726","0.001","90","","3981.1","0.3","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 F6 I P2 Pd -","- C44 H33 F6 I P2 Pd -","- C176 H132 F24 I4 P8 Pd4 -","4","1","JY2058","Bosch, Eric","Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004025","","","0.71073","MoKα","","0.0301","0.0278","","","0.0661","0.0677","","","","","","1.0247","","","","has coordinates","299652","2025-05-14","01:59:27",""
"2023501","11.7692","0.0007","34.87","0.002","10.4381","0.0006","90","","99.92","0.001","90","","4219.7","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(3,5-Dinitrophenyl)iodidobis(triphenylphosphane)palladium(II) ethyl acetate monosolvate","","- C46 H41 I N2 O6 P2 Pd -","- C46 H41 I N2 O6 P2 Pd -","- C184 H164 I4 N8 O24 P8 Pd4 -","4","1","JY2058","Bosch, Eric","Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004025","","","0.71073","MoKα","","0.058","0.0446","","","0.0854","0.0911","","","","","","1.0549","","","","has coordinates","299652","2025-05-14","01:59:27",""
"2023502","11.6327","0.0005","12.8059","0.0005","23.4327","0.0009","90","","93.218","0.002","90","","3485.2","0.2","100","2","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H32 F3 I P2 Pd -","- C42 H32 F3 I P2 Pd -","- C168 H128 F12 I4 P8 Pd4 -","4","0.5","JY2058","Bosch, Eric","Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004025","","","0.71073","MoKα","","0.0223","0.0214","","","0.0515","0.0522","","","","","","1.0523","","","","has coordinates,has disorder","299652","2025-05-14","01:59:27",""
"2023503","11.5608","0.0005","11.6437","0.0005","18.1311","0.0008","76.426","0.001","77.722","0.001","81.344","0.001","2305.16","0.17","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H34 Cl4 F3 I3 P2 Pd -","- C44 H34 Cl4 F3 I3 P2 Pd -","- C88 H68 Cl8 F6 I6 P4 Pd2 -","2","1","JY2058","Bosch, Eric","Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004025","","","0.71073","MoKα","","0.0417","0.0299","","","0.057","0.0618","","","","","","1.0564","","","","has coordinates,has disorder","299652","2025-05-14","01:59:28",""
"2023504","4.8393","0.0002","12.4928","0.0004","27.3101","0.0009","90","","90","","90","","1651.07","0.1","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-{[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","VU2009","Abubakar Magaji, Mubarak; Chen, Beining; Robertson, Craig Collumbine","Synthesis, crystal structure and Hirshfeld surface analysis of Fmoc-β-amino butyric acid and Fmoc carbamate","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003810","","","1.54178","CuKα","","0.0403","0.0324","","","0.0693","0.0731","","","","","","1.062","","","","has coordinates","299653","2025-05-14","02:00:09",""
"2023505","15.356","0.0003","5.04","0.0001","31.0254","0.0007","90","","90","","90","","2401.19","0.09","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","2","VU2009","Abubakar Magaji, Mubarak; Chen, Beining; Robertson, Craig Collumbine","Synthesis, crystal structure and Hirshfeld surface analysis of Fmoc-β-amino butyric acid and Fmoc carbamate","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025003810","","","1.54178","CuKα","","0.0345","0.0295","","","0.0647","0.0678","","","","","","1.047","","","","has coordinates","299653","2025-05-14","02:00:16",""
"2023506","5.1639","0.0002","11.1078","0.0003","14.8132","0.0005","90","","92.868","0.004","90","","848.61","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dtdpe 1,8-diphenyl-3,6-dithiaoctane-1,8-dione","2-({2-[(2-oxo-2-phenylethyl)sulfanyl]ethyl}sulfanyl)-1-phenylethan-1-one","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C36 H36 O4 S4 -","2","0.5","JY2055","O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.","Some thioether-ketones and their related derivatives","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004037","","","1.54184","CuKα","","0.0551","0.0462","","","0.1228","0.1305","","","","","","1.114","","","","has coordinates","299654","2025-05-14","02:05:40",""
"2023507","13.1307","0.0003","5.0945","0.0001","19.2847","0.0005","90","","93.167","0.002","90","","1288.07","0.05","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Mtdp, 1,5-diphenyl-3-thiapentane-1,5-dione","2-[(2-Oxo-2-phenylethyl)sulfanyl]-1-phenylethan-1-one","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","0.5","JY2055","O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.","Some thioether-ketones and their related derivatives","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004037","","","1.54184","CuKα","","0.0377","0.0312","","","0.0797","0.0836","","","","","","1.097","","","","has coordinates","299654","2025-05-14","02:05:51",""
"2023508","5.3442","0.0004","24.9746","0.0018","10.3552","0.0007","90","","99.789","0.003","90","","1361.98","0.17","102","2","102","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Prpsb, 1,10-bis(2'-pyridylhydrazono)-3,8-dithia-1,10-diphenyldecane","2-[(2<i>E</i>,12<i>E</i>)-3,12-Diphenyl-14-(pyridin-2-yl)-5,10-dithia-1,2,13,14-tetraazatetradeca-2,12-dien-1-yl]pyridine","","- C30 H32 N6 S2 -","- C30 H32 N6 S2 -","- C60 H64 N12 S4 -","2","0.5","JY2055","O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.","Some thioether-ketones and their related derivatives","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004037","","","0.71073","MoKα","","0.0745","0.0647","","","0.1669","0.1777","","","","","","1.031","","","","has coordinates","299654","2025-05-14","02:06:05",""
"2023509","9.1219","0.0003","8.6565","0.0002","17.7935","0.0007","90","","92.195","0.003","90","","1404.01","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>E</i>,8<i>Z</i>)-3,9-Dimethyl-1,11-dithia-4,5,7,8-tetraazacyclotetradeca-3,8-diene-6-thione","","- C10 H18 N4 S3 -","- C10 H18 N4 S3 -","- C40 H72 N16 S12 -","4","1","JY2055","O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.","Some thioether-ketones and their related derivatives","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004037","","","1.54184","CuKα","","0.0321","0.0307","","","0.0854","0.0865","","","","","","1.082","","","","has coordinates","299654","2025-05-14","02:06:15",""
"2023510","34.4957","0.0002","10.4262","0.0001","37.9992","0.0003","90","","115.604","0.001","90","","12324.7","0.2","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","Dhpk","2-((2<i>E</i>)-2-{(2<i>Z</i>)-2-Phenyl-2-[2-(pyridin-2-yl)hydrazin-1-ylidene]ethylidene}hydrazin-1-yl)pyridine","","- C18 H16 N6 -","- C18 H16 N6 -","- C576 H512 N192 -","32","4","JY2055","O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.","Some thioether-ketones and their related derivatives","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004037","","","1.54184","CuKα","","0.055","0.0411","","","0.1233","0.1384","","","","","","1.041","","","","has coordinates","299654","2025-05-14","02:06:26",""
"2023511","10.2352","0.0014","14.3939","0.0014","19.12","0.003","90","","98.121","0.012","90","","2788.6","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1',4'-Diphenyl-1a,1',4',4'',5'',9b-hexahydro-2''<i>H</i>-dispiro[cyclopropa[l]phenanthrene-1,2'-[1,4]epoxynaphthalene-3',3''-thiophene]","","- C39 H30 O S -","- C39 H30 O S -","- C156 H120 O4 S4 -","4","1","HB8140","Wen, Yuewei; Thamattoor, Dasan M.","Synthesis and structure of 1′,4′-diphenyl-1a,1′,4′,4′′,5′′,9b-hexahydro-2′′H-dispiro[cyclopropa[l]phenanthrene-1,2′-[1,4]epoxynaphthalene-3′,3′′-thiophene]","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004104","","x-ray","0.71073","MoKα","","0.0669","0.0482","","","0.1067","0.1169","","","","","","1.039","","","","has coordinates","299655","2025-05-14","02:07:03",""
"2023512","15.6136","0.0001","7.2214","0.0001","10.7929","0.0001","90","","104.622","0.001","90","","1177.51","0.02","99.98","0.1","99.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-[2,2-Dichloro-1-hydroxy-3-(4-methylphenyl)-3-oxopropyl]urea","","- C10 H9 Cl2 F N2 O3 -","- C10 H9 Cl2 F N2 O3 -","- C40 H36 Cl8 F4 N8 O12 -","4","1","HB8127","Guseinov, Firudin I.; Hökelek, Tuncer; Afanaseva, Ksenia A.; Shuvalova, Elena V.; Glukhov, Lev M.; Samigullina, Aida I.; Belay, Alebel N.","Syntheses and structures of 1-[2,2-dichloro-1-hydroxy-3-(4-methylphenyl)-3-oxopropyl]urea and 1-[2,2-dichloro-3-(4-fluorophenyl)-1-hydroxy-3-oxopropyl]urea","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004359","","x-ray","1.54184","CuKα","","0.0321","0.0314","","","0.081","0.0815","","","","","","1.061","","","","has coordinates","299763","2025-05-21","02:05:24",""
"2023513","12.62183","0.00013","8.77585","0.00009","11.5993","0.00011","90","","94.8294","0.0009","90","","1280.26","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2,2-Dichloro-3-(4-fluorophenyl)-1-hydroxy-3-oxopropyl]urea","","- C11 H12 Cl2 N2 O3 -","- C11 H12 Cl2 N2 O3 -","- C44 H48 Cl8 N8 O12 -","4","1","HB8127","Guseinov, Firudin I.; Hökelek, Tuncer; Afanaseva, Ksenia A.; Shuvalova, Elena V.; Glukhov, Lev M.; Samigullina, Aida I.; Belay, Alebel N.","Syntheses and structures of 1-[2,2-dichloro-1-hydroxy-3-(4-methylphenyl)-3-oxopropyl]urea and 1-[2,2-dichloro-3-(4-fluorophenyl)-1-hydroxy-3-oxopropyl]urea","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004359","","x-ray","1.54184","CuKα","","0.0374","0.0368","","","0.1031","0.1038","","","","","","1.055","","","","has coordinates","299763","2025-05-21","02:05:34",""
"2023514","8.4446","0.0002","14.0911","0.0002","13.588","0.0002","90","","96.133","0.001","90","","1607.63","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1-)]nickel(II)","","- C36 H36 Ni S4 -","- C36 H36 Ni S4 -","- C72 H72 Ni2 S8 -","2","0.5","JY2060","Das Gupta, Titir; Guite, Jackson; Hirt, LiWen; Zhang, Xiaodong; Donahue, James P.","Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1−)]nickel(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004293","","","1.54178","CuKα","","0.0428","0.0238","","","0.0641","0.066","","","","","","1.076","","","","has coordinates","299764","2025-05-21","02:06:04",""
"2023515","4.2126","0.0001","9.6687","0.0001","26.8628","0.0005","90","","94.186","0.001","90","","1091.21","0.03","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Fluorocytosine–4-hydroxybenzaldehyde (1/1)","4-Amino-5-fluoro-1<i>H</i>-pyrimidin-2-one–4-hydroxybenzaldehyde (1/1)","","- C11 H10 F N3 O3 -","- C11 H10 F N3 O3 -","- C44 H40 F4 N12 O12 -","4","1","OI2017","Sangavi, Marimuthu; Mohana, Marimuthu; Butcher, Ray J.; McMillen, Colin D.","Crystal engineering of a 1:1 5-fluorocytosine–4-hydroxybenzaldehyde cocrystal: insights from X-ray crystallography and Hirshfeld analysis","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004463","","","1.54184","CuKα","","0.0354","0.0342","","","0.0998","0.101","","","","","","1.041","","","","has coordinates","299807","2025-05-24","02:01:41",""
"2023516","7.6375","0.0005","11.0324","0.0006","30.2019","0.0008","90","","93.983","0.001","90","","2538.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3-methyl-8-{[4-(trifluoromethyl)phenyl]sulfonyl}-7,8-dihydro-4<i>H</i>-4,6a-epoxybenzo[<i>b</i>]naphtho[1,8-<i>de</i>]azepine-5,6-dicarboxylate","","- C29 H22 F3 N O7 S -","- C29 H22 F3 N O7 S -","- C116 H88 F12 N4 O28 S4 -","4","1","NX2026","Burkin, Gleb M.; Annadurdyyeva, Selbi; Kutasevich, Alexandra G.; Guliyeva, Narmina A.; Hasanov, Khudayar I.; Akkurt, Mehmet; Manahelohe, Gizachew Mulugeta","Crystal structure and Hirshfeld surface analysis of dimethyl 3-methyl-8-{[4-(trifluoromethyl)phenyl]sulfonyl}-7,8-dihydro-4H-4,6a-epoxybenzo[b]naphtho[1,8-de]azepine-5,6-dicarboxylate","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","","","10.1107/S2056989025004426","","","1.54184","CuKα","","0.0386","0.0368","","","0.1007","0.1028","","","","","","1.046","","","","has coordinates,has disorder","299808","2025-05-24","02:02:00",""
"2023517","12.9873","0.0003","13.2021","0.0003","17.91","0.0004","90","","95.796","0.001","90","","3055.14","0.12","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>exo</i>-1,2,3,5-Tetraphenyl-1a',9b'-dihydrospiro[bicyclo[3.1.0]hexane-6,1'-cyclopropa[<i>l</i>]phenanthren]-2-en-4-one","","- C44 H30 O -","- C44 H30 O -","- C176 H120 O4 -","4","1","YY2017","Roth, Alexander D.; Thamattoor, Dasan M.","Crystal structure, computational study, and Hirshfeld analysis of exo-1,2,3,5-tetraphenyl-1a',9b'-dihydrospiro[bicyclo[3.1.0]hexane-6,1′-cyclopropa[l]phenanthren]-2-en-4-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","554","558","10.1107/S2056989025004414","","","0.71073","MoKα","","0.1193","0.0661","","","0.1575","0.208","","","","","","1.047","","","","has coordinates","299887","2025-05-31","02:13:27",""
"2023518","25.577","0.004","18.632","0.003","22.463","0.004","90","","94.335","0.006","90","","10674","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')zinc(II)]-μ-1,4-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^] hemi{bis[μ-1,4-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^]bis[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')zinc(II)]}] nonahydrate]","","- C42 H52 N10 O17 Zn2 -","- C42 H34 N10 O17 Zn2 -","- C336 H272 N80 O136 Zn16 -","8","1","WM5758","Kummuang, Chanikarn; Chainok, Kittipong; Wannarit, Nanthawat","Crystal structure and characterization of a new chain-like polyrotaxane zinc(II) coordination polymer with mixed pyridine-2,6-dicarboxylate and 1,4-bis(1H-imidazol-1-ylmethyl)benzene ligands","Acta Crystallographica Section E Crystallographic Communications","2025","81","6","559","564","10.1107/S2056989025004608","","x-ray","0.71073","MoKα","","0.0659","0.055","","","0.1727","0.1852","","","","","","1.053","","","","has coordinates,has disorder","299888","2025-05-31","02:14:28",""
"2023520","24.9533","0.0007","4.6575","0.0001","8.1543","0.0002","90","","105.695","0.001","90","","912.36","0.04","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')strontium(II)]-di-μ-<i>L</i>-histidine-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^2^<i>O</i>:<i>O</i>']","","- C12 H18 N8 O10 Sr -","- C12 H18 N8 O10 Sr -","- C24 H36 N16 O20 Sr2 -","2","0.5","HB8141","Marimuthu, Sathish; Balakrishnan, Thangavelu; Percino, M. Judith; Venkatesan, Perumal","Synthesis and crystal structure of catena-poly[[bis(nitrato-κ2 O,O′)strontium(II)]-di-μ-L-histidine-κ3 O,O′:O;κ2 O:O′]","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004694","","","0.71073","MoKα","","0.0161","0.0161","","","0.0451","0.0451","","","","","","1.13","","","","has coordinates","300209","2025-06-26","02:31:35",""
"2023521","4.853","0.0003","7.3504","0.0005","29.862","0.003","93.584","0.006","90.385","0.005","99.905","0.005","1047.13","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Azido-<i>N</i>-(2,6-dimethylphenyl)acetamide","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","2","ZN2043","El Moutaouakil Ala Allah, Abderrazzak; Kariuki, Benson M.; Al-Sulami, Ahlam I.; Basha, Maram T.; Allehyani, Basmah H.; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 2-azido-N-(2,6-dimethylphenyl)acetamide","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004530","","","1.54184","CuKα","","0.104","0.0757","","","0.2208","0.2441","","","","","","1.084","","","","has coordinates","300210","2025-06-26","02:31:59",""
"2023522","8.5327","0.0012","11.0216","0.0015","11.4369","0.0016","111.817","0.004","96.977","0.004","99.925","0.004","963.1","0.2","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","Diphenylmethyl 2-(3,5-dimethoxyphenyl)acetate","","- C23 H22 O4 -","- C23 H22 O4 -","- C46 H44 O8 -","2","1","WM5759","Kavitha, Manivel; Jayakodi, Chandiran; Meenambigai, Ganesan; Janarthanan, Sekar; Pazhamalai, Srinivasan; Selvanayagam, Sivashanmugam","Crystal structures and Hirshfeld surface analyses of diphenylmethyl 2-(3,5-dimethoxyphenyl)acetate and diphenylmethyl 2-(3,4,5-trimethoxyphenyl)acetate","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004943","","","0.71073","MoKα","","0.1176","0.0646","","","0.1633","0.2024","","","","","","1.038","","","","has coordinates","300211","2025-06-26","02:32:21",""
"2023523","17.229","0.0014","5.5037","0.0005","22.114","0.0018","90","","92.256","0.002","90","","2095.3","0.3","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Diphenylmethyl 2-(3,4,5-trimethoxyphenyl)acetate","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","WM5759","Kavitha, Manivel; Jayakodi, Chandiran; Meenambigai, Ganesan; Janarthanan, Sekar; Pazhamalai, Srinivasan; Selvanayagam, Sivashanmugam","Crystal structures and Hirshfeld surface analyses of diphenylmethyl 2-(3,5-dimethoxyphenyl)acetate and diphenylmethyl 2-(3,4,5-trimethoxyphenyl)acetate","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004943","","","0.71073","MoKα","","0.1295","0.0574","","","0.1346","0.1762","","","","","","1.004","","","","has coordinates","300211","2025-06-26","02:32:23",""
"2023524","19.2621","0.0002","7.20455","0.00011","23.1309","0.0003","90","","92.2617","0.0012","90","","3207.48","0.07","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","5,5-Difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5<i>H</i>-4λ^4^,5λ^4^-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinine","","- C16 H17 B F2 N2 O Si -","- C16 H17 B F2 N2 O Si -","- C128 H136 B8 F16 N16 O8 Si8 -","8","1","VM2314","Shchevnikov, Dmitriy M.; Kutasevich, Alexandra G.; Khrustalev, Victor N.; Guliyeva, Narmina A.; Hasanov, Khudayar I.; Akkurt, Mehmet; Manahelohe, Gizachew Mulugeta","Crystal structure and Hirshfeld surface analysis of 5,5-difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5H-4λ4,5λ4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004888","","","1.54184","CuKα","","0.043","0.0388","","","0.0997","0.1022","","","","","","1.059","","","","has coordinates","300212","2025-06-26","02:32:52",""
"2023525","10.8384","0.0001","20.0381","0.0002","8.2914","0.0001","90","","91.342","0.001","90","","1800.24","0.03","295.8","0.3","295.8","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-acetato-bis({<i>N</i>,<i>N</i>-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamidato}zinc(II))","","- C34 H36 N8 O4 S2 Zn2 -","- C34 H36 N8 O4 S2 Zn2 -","- C68 H72 N16 O8 S4 Zn4 -","2","0.5","HB8133","Parry, Christian S.; Abraham, Alex R.; Kwofie, Samuel K.; Wilson, Michael D.; Ramadhar, Timothy R.; Butcher, Raymond J.","Syntheses and structures of dinuclear zinc(II) acetate-bridged coordination compounds with the aromatic Schiff base chelators N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide and N-ethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005407","","x-ray","1.54184","CuKα","","0.0783","0.0687","","","0.2048","0.2166","","","","","","1.049","","","","has coordinates,has disorder","300213","2025-06-26","02:33:17",""
"2023526","9.328","0.0002","9.9979","0.0002","10.5761","0.0002","67.101","0.002","83.267","0.002","87.15","0.001","902.33","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis({<i>N</i>-ethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamidato}zinc(II))","","- C36 H40 N8 O4 S2 Zn2 -","- C36 H40 N8 O4 S2 Zn2 -","- C36 H40 N8 O4 S2 Zn2 -","1","0.5","HB8133","Parry, Christian S.; Abraham, Alex R.; Kwofie, Samuel K.; Wilson, Michael D.; Ramadhar, Timothy R.; Butcher, Raymond J.","Syntheses and structures of dinuclear zinc(II) acetate-bridged coordination compounds with the aromatic Schiff base chelators N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide and N-ethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005407","","x-ray","1.54184","CuKα","","0.0386","0.0351","","","0.0926","0.0989","","","","","","1.071","","","","has coordinates","300213","2025-06-26","02:33:20",""
"2023527","9.728","0.0008","19.9593","0.0015","8.0087","0.0006","90","","93.23","0.004","90","","1552.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Ethyl-4-[(4-morpholinobenzylidene)amino]-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione","","- C15 H19 N5 O S -","- C15 H19 N5 O S -","- C60 H76 N20 O4 S4 -","4","1","VU2012","Nizamuddin, Syed; Prasad, T. N. Mahadeva; Sreenatha, N. R.; Sharath, C. L.; Lakshminarayana, B. N.; Vishnumurthy, K. A.","X-ray structural insights and computational analysis of the compound 5-ethyl-4-[(4-morpholinobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004852","","","0.71073","MoKα","","0.0968","0.0632","","","0.1685","0.1932","","","","","","1.008","","","","has coordinates","300214","2025-06-26","02:33:43",""
"2023528","7.447","0.002","20.916","0.008","8.446","0.003","90","","93.347","0.009","90","","1313.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(Pyren-1-ylmethylidene)amino]ethanol","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","EE2014","Eltayeb, Naser E.; Hökelek, Tuncer; Lasri, Jamal","Crystal structure and Hirshfeld surface analyses, crystal voids, interaction energy calculations and energy frameworks of (E)-2-[(pyren-1-ylmethylidene)amino]ethanol","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004451","","","0.71073","MoKα","","0.0476","0.0379","","","0.0992","0.106","","","","","","1.039","","","","has coordinates","300215","2025-06-26","02:34:05",""
"2023529","8.581","0.0004","11.1448","0.0007","11.5757","0.0005","98.662","0.002","93.164","0.002","103.444","0.002","1059.71","0.1","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","1-[2-(2-Chloroethoxy)ethyl]-2-methyl-4-nitro-1<i>H</i>-imidazole","","- C8 H12 Cl N3 O3 -","- C8 H12 Cl N3 O3 -","- C32 H48 Cl4 N12 O12 -","4","2","NX2027","Mohan Kumar, Thaluru M.; Bhavya, Papegowda; Bhaskar, Besagarahally L.; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld surface analysis of 1-[2-(2-chloroethoxy)ethyl]-2-methyl-4-nitro-1H-imidazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005493","","","0.71073","MoKα","","0.0363","0.0306","","","0.0722","0.0758","","","","","","1.057","","","","has coordinates,has disorder","300216","2025-06-26","02:34:21",""
"2023530","8.8634","0.0005","10.3453","0.0007","11.6777","0.0007","74.199","0.004","79.749","0.004","87.58","0.004","1013.85","0.11","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","Tris(2-methyl-1<i>H</i>-imidazol-3-ium) benzene-1,3,5-tricarboxylate","","- C21 H24 N6 O6 -","- C21 H24 N6 O6 -","- C42 H48 N12 O12 -","2","1","JQ2040","Łukaszczyk, Weronika; Lohse, Allegra; Leibing, Julia; Yildizbas, Sudem; Rizvanovic, Irwana; Techert, Simone; Velazquez-Garcia, Jose de Jesus","Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylate","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004748","","","0.71073","MoKα","","0.0521","0.0389","","","0.0964","0.1022","","","","","","1.05","","","","has coordinates,has disorder","300217","2025-06-26","02:34:40",""
"2023531","7.7053","0.0003","9.701","0.0003","15.0316","0.0005","104.535","0.001","95.922","0.001","90.227","0.001","1081.31","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chlorido(2,6-dimethylphenyl isocyanide)[<i>N</i>'-(2,6-dimethylphenyl)-<i>N</i>-(pyridin-2-yl)carbamimidoyl]platinum(II)","","- C23 H23 Cl N4 Pt -","- C23 H23 Cl N4 Pt -","- C46 H46 Cl2 N8 Pt2 -","2","1","TX2098","Repina, Olga V.; Nevskaya, Elena Yu.; Kritchenkov, Ilya S.; Khrustalev, Victor N.; Novikov, Alexander S.; Tskhovrebov, Alexander G.; Shikhaliyev, Namiq Q.; Niyazova, Aytan A.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of chlorido(2,6-dimethylphenyl isocyanide)[N′-(2,6-dimethylphenyl)-N-(pyridin-2-yl)carbamimidoyl]platinum(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005079","","","0.71073","MoKα","","0.0376","0.0296","","","0.0685","0.0712","","","","","","1.093","","","","has coordinates","300218","2025-06-26","02:34:55",""
"2023532","6.31","0.0002","9.8179","0.0002","13.3493","0.0004","90.522","0.001","98.818","0.001","99.478","0.001","805.57","0.04","299","2","299","","","","","","","","","7","P -1","-P 1","2","","Bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κ<i>O</i>)bis(picolinato-κ^2^<i>N</i>,<i>O</i>)copper(II)","","- C20 H24 Cl2 Cu N8 O12 S4 -","- C20 H21 Cl2 Cu N8 O12 S4 -","- C20 H21 Cl2 Cu N8 O12 S4 -","1","0.5","TX2099","Khojabaeva, Gulnaz; Torambetov, Batirbay; Gonnade, Rajesh G.; Uzakbergenova, Zamira; Rasulov, Abdusamat; Kadirova, Shakhnoza","Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2 N,O)copper(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004992","","","0.71073","MoKα","","0.0401","0.0347","","","0.0939","0.0992","","","","","","1.031","","","","has coordinates,has disorder","300219","2025-06-26","02:35:09",""
"2023533","10.6463","0.0002","7.7151","0.0002","11.1774","0.0003","90","","103.272","0.001","90","","893.56","0.04","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole","","- C6 H5 N3 S3 -","- C6 H5 N3 S3 -","- C24 H20 N12 S12 -","4","1","DX2067","Kinshakova, Ekaterina; Torambetov, Batirbay; Bharty, Manoj K.; Atashov, Aziz; Rasulov, Abdusamat; Kadirova, Shakhnoza; Gonnade, Rajesh G.","Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004980","","","0.71073","MoKα","","0.0407","0.0335","","","0.0807","0.0876","","","","","","1.047","","","","has coordinates","300220","2025-06-26","02:35:23",""
"2023534","12.6882","0.0008","18.853","0.0012","9.3914","0.0006","90","","102.806","0.006","90","","2190.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Au Br5 N2 -","- C12 H28 Au Br5 N2 -","- C48 H112 Au4 Br20 N8 -","4","0.5","YZ2066","Döring, Cindy; Jones, Peter G.","Crystal structures of three 4-methylpiperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) dichloroiodate(I) counter-anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004918","","","0.71073","MoKα","","0.0476","0.0316","","","0.0482","0.0526","","","","","","1.055","","","","has coordinates","300221","2025-06-26","02:36:48",""
"2023535","11.9196","0.0004","8.5545","0.0003","19.9052","0.0007","90","","102.955","0.004","90","","1978","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-methylpiperidinium) tetrabromidoaurate(III) bromide","","- C12 H28 Au Cl5 N2 -","- C12 H28 Au Cl5 N2 -","- C48 H112 Au4 Cl20 N8 -","4","1","YZ2066","Döring, Cindy; Jones, Peter G.","Crystal structures of three 4-methylpiperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) dichloroiodate(I) counter-anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004918","","","0.71073","MoKα","","0.0418","0.0272","","","0.0474","0.0513","","","","","","1.047","","","","has coordinates","300221","2025-06-26","02:36:51",""
"2023536","18.7771","0.0008","10.6891","0.0004","20.5603","0.0009","90","","99.284","0.005","90","","4072.6","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(4-methylpiperidinium) tetrachloridoaurate(III) chloride","","- C12 H28 Au Cl5 N2 -","- C12 H28 Au Cl5 N2 -","- C96 H224 Au8 Cl40 N16 -","8","2","YZ2066","Döring, Cindy; Jones, Peter G.","Crystal structures of three 4-methylpiperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) dichloroiodate(I) counter-anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004918","","","0.71073","MoKα","","0.0707","0.0386","","","0.0571","0.0647","","","","","","1.04","","","","has coordinates,has disorder","300221","2025-06-26","02:36:52",""
"2023537","14.4553","0.0006","15.1302","0.0005","24.3885","0.0006","90.797","0.003","98.137","0.003","106.407","0.004","5057.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-methylpiperidinium) tetrachloridoaurate(III) chloride","","- C12 H28 Au Cl5 N2 -","- C12 H28 Au Cl5 N2 -","- C120 H280 Au10 Cl50 N20 -","10","5","YZ2066","Döring, Cindy; Jones, Peter G.","Crystal structures of three 4-methylpiperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) dichloroiodate(I) counter-anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004918","","","0.71073","MoKα","","0.0662","0.0414","","","0.0768","0.0843","","","","","","1.055","","","","has coordinates","300221","2025-06-26","02:37:01",""
"2023538","9.5362","0.0005","13.4772","0.0006","13.7179","0.0007","98.422","0.004","108.961","0.005","96.954","0.004","1622.37","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(4-methylpiperidinium) tetrakis{tetrachloridoaurate(III)} dichloroiodate(I) chloride","","- C36 H84 Au4 Cl19 I N6 -","- C36 H84 Au4 Cl19 I N6 -","- C36 H84 Au4 Cl19 I N6 -","1","0.5","YZ2066","Döring, Cindy; Jones, Peter G.","Crystal structures of three 4-methylpiperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) dichloroiodate(I) counter-anions","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025004918","","","0.71073","MoKα","","0.0409","0.0292","","","0.0433","0.0459","","","","","","1.053","","","","has coordinates","300221","2025-06-26","02:37:03",""
"2023539","32.9033","0.0003","6.02694","0.00005","7.14998","0.00006","90","","95.5021","0.0008","90","","1411.35","0.02","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,5-Bis[(4-fluorophenyl)iminomethyl]furan","","- C18 H12 F2 N2 O -","- C18 H12 F2 N2 O -","- C72 H48 F8 N8 O4 -","4","0.5","WM5760","Lauer, Moira K.; Balaich, Gary J.; Iacono, Scott T.; Weeks, Nathan J.","Molecular and crystal structure of 2,5-bis[(4-fluorophenyl)iminomethyl]furan","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005006","","x-ray","1.54184","CuKα","","0.0297","0.0286","","","0.0769","0.0779","","","","","","1.05","","","","has coordinates","300222","2025-06-26","02:37:48",""
"2023540","20.9094","0.0015","9.0361","0.0005","19.3753","0.0013","90","","122.36","0.008","90","","3092.2","0.4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{ethyl 2-[1-methyl-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazol-5-yl]acetate}trinitratolanthanum(III)","","- C24 H28 La N11 O13 -","- C24 H28 La N11 O13 -","- C96 H112 La4 N44 O52 -","4","0.5","OO2010","Halushchenko, Valeriia; Korovin, Oleksandr; Rusakova, Natalya; Dyakonenko, Viktoriya; Khomenko, Dmytro; Lampeka, Rostyslav; Smola, Serhii","Crystal structure and supramolecular features of bis{ethyl 2-[1-methyl-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]acetate}trinitratolanthanum(III)","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005419","","","0.71073","MoKα","","0.0461","0.0346","","","0.0594","0.0617","","","","","","1.025","","","","has coordinates,has disorder","300223","2025-06-26","02:38:14",""
"2023541","19.9559","0.0009","9.8232","0.0005","14.0704","0.0007","90","","118.642","0.001","90","","2420.7","0.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(benzothiazole-2-thiolato-κ<i>S</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C26 H16 N4 S4 Zn -","- C26 H16 N4 S4 Zn -","- C104 H64 N16 S16 Zn4 -","4","0.5","OX2015","Abdullayeva, Gulchekhra; Torambetov, Batirbay; Kadirova, Shakhnoza; Daminova, Shahlo","Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κS)(1,10-phenanthroline-κ2 N,N′)zinc(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","","","10.1107/S2056989025005468","","","0.71073","MoKα","","0.0482","0.0361","","","0.0858","0.0932","","","","","","1.079","","","","has coordinates","300224","2025-06-26","02:38:33",""
"2023542","7.781","0.0006","15.6978","0.0011","25.966","0.002","90","","90","","90","","3171.6","0.4","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2-[(4-cyanophenyl)methoxy]quinoline-4-carboxylate","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C152 H112 N16 O24 -","8","1","NU2008","El-Mrabet, Ayoub; Haoudi, Amal; Capet, Frederic; Hökelek, Tuncer; Ahmed, Mazzah","Crystal structure and Hirshfeld surface analyses, interaction energy calculations and energy frameworks of methyl 2-[(4-cyanophenyl)methoxy]quinoline-4-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2025","81","7","650","656","10.1107/S2056989025005547","","","0.71073","MoKα","","0.0543","0.0494","","","0.1321","0.1361","","","","","","1.048","","","","has coordinates","300256","2025-06-28","02:10:12",""
"2023543","7.1788","0.001","13.0274","0.0013","25.979","0.003","90","","90","","90","","2429.6","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Levofloxacinium 4-methylbenzoate","4-{11-Carboxy-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}^]trideca-5,7,9(13),11-tetraen-6-yl}-1-methylpiperazin-1-ium 4-methylbenzoate","","- C26 H28 F N3 O6 -","- C26 H28 F N3 O6 -","- C104 H112 F4 N12 O24 -","4","1","EE2021","Patel, Bhumi C.; Modi, Krunal M.; Reddy, J. Prakasha","Crystal structure and Hirshfeld surface analysis of anhydrous salt of levofloxacin and 4-methylbenzoic acid","Acta Crystallographica Section E Crystallographic Communications","2025","81","12","1149","1152","10.1107/S2056989025010047","","","0.71073","MoKα","","0.1617","0.0601","","","0.1291","0.1767","","","","","","1.001","","","","has coordinates,has Fobs","303291","2025-12-28","16:37:23",""