Crystallography Open Database

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2018305 CIF
HKL
Paper
C17 H13 F6 Fe O3 P SC 1 c 110.059; 13.618; 13.544
90; 104.446; 90
1796.6Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam
(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide
Acta Crystallographica Section C, 2011, 67, m351-m354
2018306 CIF
HKL
Paper
C12 H8 O3 SP -17.2067; 7.9568; 8.936
102.475; 95.493; 93.399
496.33Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam
(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide
Acta Crystallographica Section C, 2011, 67, m351-m354
2018307 CIF
HKL
Paper
C7 H8 N4 O2P 1 21/c 17.7055; 13.001; 15.7794
90; 103.224; 90
1538.85Khamar, Dikshitkumar; Pritchard, Robin Gavin; Bradshaw, Ian James; Hutcheon, Gillian Ann; Seton, Linda
Polymorphs of anhydrous theophylline: stable form IV consists of dimer pairs and metastable form I consists of hydrogen-bonded chains
Acta Crystallographica Section C, 2011, 67, o496-o499
2018308 CIF
HKL
Paper
C7 H8 N4 O2P n a 2113.158; 15.63; 3.854
90; 90; 90
792.6Khamar, Dikshitkumar; Pritchard, Robin Gavin; Bradshaw, Ian James; Hutcheon, Gillian Ann; Seton, Linda
Polymorphs of anhydrous theophylline: stable form IV consists of dimer pairs and metastable form I consists of hydrogen-bonded chains
Acta Crystallographica Section C, 2011, 67, o496-o499
2018309 CIF
HKL
Paper
C10 H6 N2 S2 SeP c a 2110.641; 5.134; 19.096
90; 90; 90
1043.2Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent
Acta Crystallographica Section C, 2011, 67, o509-o514
2018310 CIF
HKL
Paper
C14 H9 Cl N2 SeP 1 21/c 113.382; 5.5247; 16.524
90; 94.528; 90
1217.8Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent
Acta Crystallographica Section C, 2011, 67, o509-o514
2018311 CIF
HKL
Paper
C13 H10 N2 O SeP 1 21/c 18.5036; 25.21; 11.116
90; 96.814; 90
2366.2Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent
Acta Crystallographica Section C, 2011, 67, o509-o514
2018312 CIF
HKL
Paper
C14 H10 N2 SeP 1 21/c 113.036; 5.465; 16.274
90; 101.86; 90
1134.6Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent
Acta Crystallographica Section C, 2011, 67, o509-o514
2018313 CIF
HKL
Paper
C14 H10 N2 SeC 1 2/c 126.763; 5.796; 7.213
90; 103.885; 90
1086.2Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent
Acta Crystallographica Section C, 2011, 67, o509-o514
2018314 CIF
HKL
Paper
C10 H9 Cl2 N O5P 1 21/c 17.7256; 19.3792; 15.2486
90; 94.404; 90
2276.2Gotoh, Kazuma; Ishida, Hiroyuki
Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one
Acta Crystallographica Section C, 2011, 67, o500-o504
2018315 CIF
HKL
Paper
C14 H16 Cl2 N2 O6P -14.9665; 7.4767; 11.8445
106.79; 90.299; 108.734
396.43Gotoh, Kazuma; Ishida, Hiroyuki
Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one
Acta Crystallographica Section C, 2011, 67, o500-o504
2018316 CIF
HKL
Paper
C11 H11 Cl2 N O5P 1 21/c 19.41079; 8.069; 18.1026
90; 115.14; 90
1244.42Gotoh, Kazuma; Ishida, Hiroyuki
Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one
Acta Crystallographica Section C, 2011, 67, o500-o504
2018317 CIF
HKL
Paper
C16 H20 Cl2 N2 O6C 1 2/c 117.8438; 5.4253; 19.5958
90; 114.066; 90
1732.14Gotoh, Kazuma; Ishida, Hiroyuki
Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one
Acta Crystallographica Section C, 2011, 67, o500-o504
2018318 CIF
HKL
Paper
C29 H22 Cl N3 OP -18.1014; 11.3554; 13.5762
102.755; 90.013; 108.268
1153.47Portilla, Jaime; Lizarazo, Carolina; Cobo, Justo; Glidewell, Christopher
A π-stacked chain of hydrogen-bonded dimers in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one and a π-stacked sheet of hydrogen-bonded chains in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-(4-methoxyphenyl)indeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one
Acta Crystallographica Section C, 2011, 67, o479-o483
2018319 CIF
HKL
Paper
C30 H24 Cl N3 O2P -111.1911; 11.4258; 20.095
97.411; 93.272; 107.635
2415.7Portilla, Jaime; Lizarazo, Carolina; Cobo, Justo; Glidewell, Christopher
A π-stacked chain of hydrogen-bonded dimers in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one and a π-stacked sheet of hydrogen-bonded chains in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-(4-methoxyphenyl)indeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one
Acta Crystallographica Section C, 2011, 67, o479-o483
2018320 CIF
HKL
Paper
C15 H17 Cl F6 Fe N PP 1 21 17; 13.401; 8.805
90; 95.183; 90
822.6Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam
[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate and (η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate
Acta Crystallographica Section C, 2011, 67, m391-m394
2018321 CIF
HKL
Paper
C21 H22 F6 Fe N O PP 1 21/n 110.9764; 9.4221; 19.393
90; 91.608; 90
2004.8Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam
[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate and (η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate
Acta Crystallographica Section C, 2011, 67, m391-m394
2018322 CIF
HKL
Paper
C5 H2 Cl2 N4P 1 21/c 114.0867; 9.4898; 12.2656
90; 115.381; 90
1481.4García-Rubiño, M. Eugenia; Choquesillo-Lazarte, Duane; Núñez, M. C.; Campos, Joaquín M.
Two tautomeric polymorphs of 2,6-dichloropurine
Acta Crystallographica Section C, 2011, 67, o484-o486
2018323 CIF
HKL
Paper
C5 H2 Cl2 N4P 21 21 215.5716; 9.582; 13.159
90; 90; 90
702.5García-Rubiño, M. Eugenia; Choquesillo-Lazarte, Duane; Núñez, M. C.; Campos, Joaquín M.
Two tautomeric polymorphs of 2,6-dichloropurine
Acta Crystallographica Section C, 2011, 67, o484-o486
2018324 CIF
HKL
Paper
C20 H36 Mo8 N8 O28P -18.0821; 11.2521; 12.9231
106.242; 106.063; 106.102
1000.9Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.
New organic‒inorganic frameworks incorporating iso- and heteropolymolybdate units and a 3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium multiple hydrogen-bond donor
Acta Crystallographica Section C, 2011, 67, m378-m383
2018325 CIF
HKL
Paper
C20 H40 Mo12 N8 O44 SiC 1 2 122.5418; 20.4965; 12.5203
90; 110.27; 90
5426.5Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.
New organic‒inorganic frameworks incorporating iso- and heteropolymolybdate units and a 3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium multiple hydrogen-bond donor
Acta Crystallographica Section C, 2011, 67, m378-m383
2018326 CIF
HKL
Paper
Al14.37 Cu12.6 Li12R -3 m :H4.9301; 4.9301; 27.561
90; 90; 120
580.15Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Chumak, Ihor; Ehrenberg, Helmut
Li~12~Cu~12.60~Al~14.37~: a new ternary derivative of the binary Laves phases
Acta Crystallographica Section C, 2011, 67, i59-i62
2018327 CIF
HKL
Paper
C20 H24 N6 O6 RuI 41/a c d :216.3418; 16.3418; 16.6448
90; 90; 90
4445.07Buron-Le Cointe, Marylise; Cormary, Beno\?ît; Toupet, Loïc; Malfant, Isabelle
The three-dimensional intermolecular network formed <i>via</i> water molecules in <i>trans</i>-bis(nitrito-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)ruthenium(II) dihydrate
Acta Crystallographica Section C, 2011, 67, m375-m377
2018328 CIF
HKL
Paper
C2 H8 F6 N O3 S SbP b c a9.9037; 11.5575; 16.727
90; 90; 90
1914.61Hopfinger, Mathias; Lux, Karin; Schubert, Felix; Kornath, Andreas
2-Sulfoethylammonium hexafluoridoantimonate
Acta Crystallographica Section C, 2011, 67, m400-m402
2018329 CIF
HKL
Paper
C11 H11 N3 O2 SC 1 2/c 112.735; 11.6945; 15.3357
90; 93.546; 90
2279.6Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.
Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K
Acta Crystallographica Section C, 2011, 67, o487-o491
2018330 CIF
HKL
Paper
C15 H19 N3 O4 SP 1 21/c 19.0258; 9.9264; 17.988
90; 100.72; 90
1583.5Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.
Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K
Acta Crystallographica Section C, 2011, 67, o487-o491
2018331 CIF
HKL
Paper
C15 H19 N3 O3 SP 1 21/c 111.212; 12.449; 11.6209
90; 99.888; 90
1597.9Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.
Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K
Acta Crystallographica Section C, 2011, 67, o487-o491
2018332 CIF
HKL
Paper
C16 H22 N4 O2 SP 1 21/c 18.6639; 12.586; 15.833
90; 105.447; 90
1664.1Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.
Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K
Acta Crystallographica Section C, 2011, 67, o487-o491
2018333 CIF
HKL
Paper
C6 H16 Mn O11 S3 SnP 1 21/c 19.8901; 10.4992; 15.883
90; 96.631; 90
1638.2Song, Li; Ling, Chun; Wang, Xinping
A novel heterometallic dinuclear compound: <i>rac</i>-pentaaqua-1κ^5^<i>O</i>-(μ-2-sulfidoacetato-1:2κ^3^<i>O</i>:<i>O</i>',<i>S</i>)bis(2-sulfidoacetato-2κ^2^<i>O</i>,<i>S</i>)manganese(II)tin(IV)
Acta Crystallographica Section C, 2011, 67, m384-m386
2018334 CIF
HKL
Paper
C44 H34 Cd3 N4 O12P 1 21/c 114.178; 9.481; 15.901
90; 105.772; 90
2057Guo, Jie; Zhang, Liang-Liang; He, Hai-Yan; Li, Xiao-Wei; Sun, Di
Poly[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(μ~6~-2,4,6-trimethylbenzene-1,3,5-tricarboxylato)tricadmium(II)], a two-dimensional `Kagomé dual' (kgd) sheet structure
Acta Crystallographica Section C, 2011, 67, m387-m390
2018335 CIF
Paper
C7 H12 N4 O2P 1 2/c 110.8128; 8.4293; 10.9321
90; 118.192; 90
878.2Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal
The disordered molecular structure of (3a<i>RS</i>,7a<i>RS</i>)-1,3-dinitrosooctahydro-1<i>H</i>-benzimidazole
Acta Crystallographica Section C, 2011, 67, o505-o508
2018336 CIF
HKL
Paper
C28 H20 N2 O2P 1 21/c 19.0669; 7.7778; 30.135
90; 93.148; 90
2121.9Tabata, Hideyuki; Kubo, Natsuki; Okuno, Tsunehisa
Two polymorphs of <i>N</i>^1^,<i>N</i>^4^-bis(5-hydroxypenta-1,3-diynyl)-<i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine
Acta Crystallographica Section C, 2011, 67, o492-o495
2018337 CIF
HKL
Paper
C28 H20 N2 O2P 1 21/c 115.53; 8.831; 17.108
90; 115.766; 90
2113Tabata, Hideyuki; Kubo, Natsuki; Okuno, Tsunehisa
Two polymorphs of <i>N</i>^1^,<i>N</i>^4^-bis(5-hydroxypenta-1,3-diynyl)-<i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine
Acta Crystallographica Section C, 2011, 67, o492-o495
2018338 CIF
HKL
Paper
C132 H166 Fe8 O43P -113.2648; 16.6182; 17.679
90.557; 110.485; 108.261
3435.5Baca, Svetlana G.; Breukers, Stefanie; Ellern, Arkady; Kögerler, Paul
An octanuclear iron(III) isobutyrate wheel
Acta Crystallographica Section C, 2011, 67, m371-m374
2018339 CIF
HKL
Paper
Cl2 H8 Mg O4P b c n7.2557; 8.4285; 11.0412
90; 90; 90
675.22Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang
Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O
Acta Crystallographica Section C, 2012, 68, i4-i6
2018340 CIF
HKL
Paper
C100 H76 Ag4 N4 O8 P4 S8P -115.3566; 14.1309; 14.0768
77.771; 123.88; 86.465
2416.9Dennehy, Mariana; Freire, Eleonora; Baggio, Ricardo
A triclinic polymorph of <i>cyclo</i>-tetra-μ-thiosaccharinato-κ^8^<i>S</i>:<i>S</i>-tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]
Acta Crystallographica Section C, 2012, 68, m17-m20
2018341 CIF
HKL
Paper
C20 H15 Cd I2 N O5C 1 2/c 129.236; 5.7289; 28.417
90; 112.82; 90
4387Liu, Dong; Li, Ni-Ya
Poly[di-μ-aqua-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'-tetrakis(4-iodobenzoato-κ^2^<i>O</i>,<i>O</i>')dicadmium]
Acta Crystallographica Section C, 2012, 68, m21-m23
2018342 CIF
HKL
Paper
C66 H46P 1 21/c 111.674; 33.336; 11.816
90; 91.479; 90
4596.8Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A.
2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl
Acta Crystallographica Section C, 2012, 68, o23-o27
2018343 CIF
HKL
Paper
C66 H42 F4P 1 21/n 119.7494; 6.1217; 20.4762
90; 109.754; 90
2329.9Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A.
2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl
Acta Crystallographica Section C, 2012, 68, o23-o27
2018344 CIF
HKL
Paper
C20 H18 N2 O2 SP 1 21/c 110.0449; 7.5527; 24.3945
90; 97.538; 90
1834.72Pérez, Hiram; Corrêa, Rodrigo S.; Plutín, Ana María; O'Reilly, Beatriz; Andrade, Marcelo B.
Probing the relationships between molecular conformation and intermolecular contacts in <i>N</i>,<i>N</i>-dibenzyl-<i>N</i>'-(furan-2-carbonyl)thiourea
Acta Crystallographica Section C, 2012, 68, o19-o22
2018345 CIF
HKL
Paper
C30 H23 Cu2 N7 O4 S6P -18.0466; 13.815; 15.3621
87.739; 89.48; 79.033
1675.21Dennehy, Mariana; Quinzani, Oscar V.; Faccio, Ricardo; Freire, Eleonora; Mombrú, Álvaro W.
The conformations of two copper(I) complexes of 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione and thiosaccharinate
Acta Crystallographica Section C, 2012, 68, m12-m16
2018346 CIF
Paper
C35 H26 Cu2 N8 O4 S7P 1 21/c 113.2395; 10.2731; 29.536
90; 93.135; 90
4011Dennehy, Mariana; Quinzani, Oscar V.; Faccio, Ricardo; Freire, Eleonora; Mombrú, Álvaro W.
The conformations of two copper(I) complexes of 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione and thiosaccharinate
Acta Crystallographica Section C, 2012, 68, m12-m16
2018347 CIF
HKL
Paper
C52 H40 Cl26 N4P -111.6031; 12.6132; 24.5118
87.706; 82.025; 76.356
3452.31Aparici Plaza, Luis; Chojnacki, Jaroslaw
Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts
Acta Crystallographica Section C, 2012, 68, m24-m28
2018348 CIF
HKL
Paper
C44 H28 Cu N4P 1 21/n 114.5813; 8.6068; 14.6191
90; 118.56; 90
1611.4Aparici Plaza, Luis; Chojnacki, Jaroslaw
Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts
Acta Crystallographica Section C, 2012, 68, m24-m28
2018349 CIF
HKL
Paper
C4 H4 Ca O4P 1 21/c 15.886; 11.2117; 17.0754
90; 95.945; 90
1120.78Mazaj, Matjaz; Kaucic, Venceslav; Golobic, Amalija; Zabukovec Logar, Natasa
A new layered Ca‒succinate coordination polymer
Acta Crystallographica Section C, 2012, 68, m4-m6
2018350 CIF
HKL
Paper
Al8 Ca2 O15 PbP n m a5.3702; 27.9903; 8.8811
90; 90; 90
1334.95Artner, Christine; Weil, Matthias
PbCa~2~[Al~8~O~15~] with a novel three-dimensional aluminate anion
Acta Crystallographica Section C, 2012, 68, i1-i3
2018351 CIF
HKL
Paper
C11 H7 N OP 1 21/n 19.251; 6.7748; 13.256
90; 93.196; 90
829.5Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.
Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K
Acta Crystallographica Section C, 2012, 68, o1-o6
2018352 CIF
HKL
Paper
C11 H7 N OP 1 21/n 19.0551; 6.7287; 13.12
90; 92.6; 90
798.6Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.
Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K
Acta Crystallographica Section C, 2012, 68, o1-o6
2018353 CIF
HKL
Paper
C11 H7 N OP 1 21/n 19.0551; 6.7287; 13.12
90; 92.6; 90
798.6Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.
Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K
Acta Crystallographica Section C, 2012, 68, o1-o6
2018354 CIF
Paper
C28 H38.68 Mn4 N4 O33.34P -16.6765; 10.9615; 14.1513
102.309; 95.097; 91.581
1006.69Mirzaei, M.; Lippolis, V.; Eshtiagh-Hosseini, H.; Mahjoobizadeh, M.
Decaaquabis(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine-2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate: a new three-dimensional open metal‒organic framework based on a tetranuclear Mn^II^ complex of chelidamic acid and undecameric stitching water clusters
Acta Crystallographica Section C, 2012, 68, m7-m11
2018355 CIF
HKL
Paper
C27 H36 Au Cl N2P c c n10.6655; 12.6641; 19.5145
90; 90; 90
2635.8Linden, Anthony; de Haro, Teresa; Nevado, Cristina
[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)
Acta Crystallographica Section C, 2012, 68, m1-m3
2018356 CIF
HKL
Paper
C9 H8 Cl N5 SP -17.5935; 10.8712; 12.8862
95.794; 100.349; 92.125
1039.45Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.; Bolte, Michael
Tizanidine and tizanidine hydrochloride: on the correct tautomeric form of tizanidine
Acta Crystallographica Section C, 2012, 68, o28-o32
2018357 CIF
HKL
Paper
C9 H9 Cl2 N5 SP 1 21/c 18.5321; 14.0679; 10.1266
90; 105.856; 90
1169.24Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.; Bolte, Michael
Tizanidine and tizanidine hydrochloride: on the correct tautomeric form of tizanidine
Acta Crystallographica Section C, 2012, 68, o28-o32
2018358 CIF
HKL
Paper
C12 H22 O10P 21 21 2113.7878; 22.892; 4.6367
90; 90; 90
1463.5Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
Disorder and conformational analysis of methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-xylopyranoside
Acta Crystallographica Section C, 2012, 68, o7-o11
2018359 CIF
HKL
Paper
C20 H14 Cl N3 OC 1 2/c 116.784; 9.638; 21.699
90; 108.82; 90
3322.5Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher
Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure
Acta Crystallographica Section C, 2012, 68, o12-o18
2018360 CIF
HKL
Paper
C21 H16 Cl N3 OP -18.2898; 9.9191; 10.3666
87.108; 86.808; 85.088
847.08Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher
Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure
Acta Crystallographica Section C, 2012, 68, o12-o18
2018361 CIF
HKL
Paper
C20 H13 Cl2 N3 OP b c n20.868; 9.603; 16.924
90; 90; 90
3391Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher
Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure
Acta Crystallographica Section C, 2012, 68, o12-o18
2018362 CIF
HKL
Paper
C20 H13 Br Cl N3 OP -19.3826; 9.7781; 10.1072
108.077; 99.353; 90.911
867.61Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher
Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure
Acta Crystallographica Section C, 2012, 68, o12-o18
2018363 CIF
HKL
Paper
C21 H16 Cl N3 O2P -18.6972; 10.039; 10.09
85.23; 80.856; 86.665
865.9Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher
Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure
Acta Crystallographica Section C, 2012, 68, o12-o18
2018364 CIF
Paper
C20 H13 Cl N4 O3P 1 21/c 111.7839; 9.989; 15.71
90; 106.084; 90
1777Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher
Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure
Acta Crystallographica Section C, 2012, 68, o12-o18
2018365 CIF
HKL
Paper
C12 H17 N O5P -17.3047; 8.466; 11.7559
95.747; 103.926; 107.716
660.25Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Trukhachova, Tatjana V.
Two succinic acid derivatives of 2-ethyl-6-methylpyridin-3-ol
Acta Crystallographica Section C, 2012, 68, o33-o36
2018366 CIF
HKL
Paper
C12 H17 N O5P 1 21/c 111.4951; 12.4787; 9.1986
90; 93.886; 90
1316.45Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Trukhachova, Tatjana V.
Two succinic acid derivatives of 2-ethyl-6-methylpyridin-3-ol
Acta Crystallographica Section C, 2012, 68, o33-o36
2018367 CIF
HKL
Paper
C14 H16 N2 O6P -17.3434; 7.9884; 12.7593
96.497; 92.783; 101.303
727.33Arunadevi, N.; Devipriya, S.; Vairam, S.
The acid adducts hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)
Acta Crystallographica Section C, 2012, 68, o61-o64
2018368 CIF
HKL
Paper
C22 H20 N2 O6P -17.376; 7.915; 16.778
89.248; 86.963; 100.609
961.2Arunadevi, N.; Devipriya, S.; Vairam, S.
The acid adducts hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)
Acta Crystallographica Section C, 2012, 68, o61-o64
2018369 CIF
Paper
C38 H69 N O13P 21 21 214.4531; 34.6885; 8.7114
90; 90; 90
4367.52Noguchi, Shuji; Miura, Keiko; Fujiki, Sadahiro; Iwao, Yasunori; Itai, Shigeru
Clarithromycin form I determined by synchrotron X-ray powder diffraction
Acta Crystallographica Section C, 2012, 68, o41-o44
2018370 CIF
HKL
Paper
Fe Li O8 W2C 1 2/c 19.2884; 11.4181; 4.9018
90; 90.597; 90
519.84Albino, Marjorie; Pechev, Stanislav; Veber, Philippe; Velazquez, Matias; Josse, Michael
Cation ordering in the double tungstate LiFe(WO~4~)~2~
Acta Crystallographica Section C, 2012, 68, i7-i8
2018371 CIF
HKL
Paper
C19 H18 Fe N2 O3P -17.6075; 10.1342; 11.9062
73.805; 81.35; 75.891
851.55Stevanović, Dragana; Pejović, Anka; Novaković, Sladjana B.; Bogdanović, Goran A.; Divjaković, Vladimir; Vukićević, Rastko D.
A new polymorph of 1-ferrocenyl-3-(3-nitroanilino)propan-1-one
Acta Crystallographica Section C, 2012, 68, m37-m40
2018372 CIF
HKL
Paper
C10 H14 Ca N2 O13 P4P 1 21/c 112.296; 13.054; 12.308
90; 101.33; 90
1937.1Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta
Poly[aqua[μ~3~-(pyridin-1-ium-3,5-diyl)diphosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''][μ~2~-(pyridin-1-ium-3,5-diyl)diphosphonato-κ^2^<i>O</i>:<i>O</i>']calcium(II)]
Acta Crystallographica Section C, 2012, 68, m41-m44
2018373 CIF
HKL
Paper
C16 H22 Mg O8P 21 21 219.7979; 10.0424; 36.052
90; 90; 90
3547.3Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth
Magnesium, calcium and strontium salts of phenylacetic acid
Acta Crystallographica Section C, 2012, 68, m29-m33
2018374 CIF
HKL
Paper
C16 H20 Ca O7C 1 2/c 129.2249; 6.6941; 17.8109
90; 92.52; 90
3481.1Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth
Magnesium, calcium and strontium salts of phenylacetic acid
Acta Crystallographica Section C, 2012, 68, m29-m33
2018375 CIF
HKL
Paper
C16 H20 O7 SrC 1 2/c 129.5111; 6.856; 17.7229
90; 93.453; 90
3579.3Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth
Magnesium, calcium and strontium salts of phenylacetic acid
Acta Crystallographica Section C, 2012, 68, m29-m33
2018376 CIF
HKL
Paper
C24 H29 Fe I N2P 1 21 110.6277; 7.4514; 28.293
90; 95.603; 90
2229.9Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir
1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1<i>H</i>-imidazolidin-3-ium iodide and <i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin-2-ylidene)diiodidopalladium(II)
Acta Crystallographica Section C, 2012, 68, m48-m52
2018377 CIF
HKL
Paper
C42 H44 Fe2 I2 N4 PdP 1 21/n 19.5185; 11.7851; 17.569
90; 92.835; 90
1968.4Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir
1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1<i>H</i>-imidazolidin-3-ium iodide and <i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin-2-ylidene)diiodidopalladium(II)
Acta Crystallographica Section C, 2012, 68, m48-m52
2018378 CIF
HKL
Paper
C6 H10 N O4 PP -18.804; 10.422; 14.089
86.418; 75.889; 83.016
1243.71Kaman, Ondřej; Smrčok, Ľubomír; Gyepes, Róbert; Havlíček, David
Anilinium dihydrogen phosphate
Acta Crystallographica Section C, 2012, 68, o57-o60
2018379 CIF
HKL
Paper
C4 H8 Cl6 O SP 1 21/n 15.9679; 9.0041; 23.1424
90; 91.63; 90
1243.07Yufit, Dmitry S.; Howard, Judith A. K.
Molecular complexes of dimethyl sulfoxide with tri- and dichloromethane
Acta Crystallographica Section C, 2012, 68, o37-o40
2018380 CIF
HKL
Paper
C3 H8 Cl2 O SP -16.68; 7.7862; 8.0017
78.019; 80.008; 65.665
369.13Yufit, Dmitry S.; Howard, Judith A. K.
Molecular complexes of dimethyl sulfoxide with tri- and dichloromethane
Acta Crystallographica Section C, 2012, 68, o37-o40
2018381 CIF
HKL
Paper
C18 H20 N2 O8P 1 21/c 110.412; 11.994; 7.1077
90; 90.743; 90
887.5Staun, Selena L.; Oliver, Allen G.
4-Pyridone‒terephthalic acid‒water (2/1/2) and bis(3-hydroxypyridinium) terephthalate
Acta Crystallographica Section C, 2012, 68, o84-o87
2018382 CIF
HKL
Paper
C18 H16 N2 O6P 1 21/c 14.9245; 15.7128; 10.3256
90; 98.386; 90
790.43Staun, Selena L.; Oliver, Allen G.
4-Pyridone‒terephthalic acid‒water (2/1/2) and bis(3-hydroxypyridinium) terephthalate
Acta Crystallographica Section C, 2012, 68, o84-o87
2018383 CIF
HKL
Paper
C23 H22 Cd N2 O4P 1 21/c 110.022; 22.316; 10.316
90; 116.51; 90
2064.6Liu, Dong
Poly[[μ~2~-1,3-bis(pyridin-4-yl)propane](μ~3~-1,4-phenylenediacetato)cadmium]
Acta Crystallographica Section C, 2012, 68, m34-m36
2018384 CIF
HKL
Paper
C20 H19 Cl2 N2 O2 PP -17.4673; 10.4338; 12.9911
86.215; 79.611; 78.588
975.41Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh
The double H-atom acceptability of the P=O group in new <i>X</i>P(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [<i>X</i> = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NH<i>R</i>) group
Acta Crystallographica Section C, 2012, 68, o51-o56
2018385 CIF
HKL
Paper
C16 H15 Cl2 F3 N3 O2 PP -14.886; 12.192; 15.838
103.714; 94.636; 96.099
905.9Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh
The double H-atom acceptability of the P=O group in new <i>X</i>P(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [<i>X</i> = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NH<i>R</i>) group
Acta Crystallographica Section C, 2012, 68, o51-o56
2018386 CIF
HKL
Paper
C12 H19 N O6P 1 21/c 17.027; 20.776; 8.949
90; 91.06; 90
1306.3Belandria, Lusbely M.; Mora, Asiloé J.; Delgado, Gerzon E.; Briceño, Alexander
4-Carboxypiperidinium 1-carboxycyclobutane-1-carboxylate
Acta Crystallographica Section C, 2012, 68, o88-o91
2018387 CIF
HKL
Paper
C5 H6 N2 O4P 21 21 217.6148; 8.5592; 9.3406
90; 90; 90
608.79Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Conformational studies of hydantoin-5-acetic acid and orotic acid
Acta Crystallographica Section C, 2012, 68, o92-o98
2018388 CIF
HKL
Paper
C7 H10 N2 O5 SP 1 21/c 19.371; 5.9752; 17.8433
90; 97.447; 90
990.68Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Conformational studies of hydantoin-5-acetic acid and orotic acid
Acta Crystallographica Section C, 2012, 68, o92-o98
2018389 CIF
HKL
Paper
C12 H15 N5 O8P -18.111; 8.9503; 11.6804
112.366; 97.263; 104.621
734.94Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Conformational studies of hydantoin-5-acetic acid and orotic acid
Acta Crystallographica Section C, 2012, 68, o92-o98
2018390 CIF
HKL
Paper
C26 H37 N11 O16P 1 21 17.0176; 18.026; 12.906
90; 94.94; 90
1626.5Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Conformational studies of hydantoin-5-acetic acid and orotic acid
Acta Crystallographica Section C, 2012, 68, o92-o98
2018391 CIF
HKL
Paper
C11 H17 N3 O3P 1 21/c 17.8761; 12.7102; 11.9438
90; 98.189; 90
1183.46Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.
Two polymorphs and the diethylammonium salt of the barbiturate eldoral
Acta Crystallographica Section C, 2012, 68, o65-o70
2018392 CIF
HKL
Paper
C11 H17 N3 O3P 1 21/n 111.9311; 15.9858; 13.0768
90; 106.799; 90
2387.68Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.
Two polymorphs and the diethylammonium salt of the barbiturate eldoral
Acta Crystallographica Section C, 2012, 68, o65-o70
2018393 CIF
HKL
Paper
C15 H28 N4 O3P b c a11.827; 16.1719; 18.6774
90; 90; 90
3572.33Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.
Two polymorphs and the diethylammonium salt of the barbiturate eldoral
Acta Crystallographica Section C, 2012, 68, o65-o70
2018394 CIF
HKL
Paper
C2 H8 F N4 O4 PC 1 c 16.6567; 6.995; 16.2875
90; 97.467; 90
751.97Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila
Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)
Acta Crystallographica Section C, 2012, 68, o76-o83
2018395 CIF
HKL
Paper
C2 H8.24 F0.76 N4 O4 PC 1 c 16.6648; 6.9435; 16.2924
90; 97.185; 90
748.04Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila
Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)
Acta Crystallographica Section C, 2012, 68, o76-o83
2018396 CIF
HKL
Paper
C2 H8.885 F0.115 N4 O4 PC 1 c 16.67841; 6.78864; 16.2696
90; 96.588; 90
732.75Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila
Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)
Acta Crystallographica Section C, 2012, 68, o76-o83
2018397 CIF
Paper
C2 H8.816 F0.184 N4 O4 PC 1 c 16.67722; 6.8083; 16.2809
90; 96.644; 90
735.17Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila
Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)
Acta Crystallographica Section C, 2012, 68, o76-o83
2018398 CIF
HKL
Paper
C4 H18 F N8 O7 PP n m a12.2788; 17.4866; 6.6851
90; 90; 90
1435.39Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila
Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate
Acta Crystallographica Section C, 2012, 68, o71-o75
2018399 CIF
HKL
Paper
C4 H18 F N8 O7 PP b c a6.5362; 16.6485; 26.1629
90; 90; 90
2847Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila
Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate
Acta Crystallographica Section C, 2012, 68, o71-o75
2018400 CIF
HKL
Paper
C7 H8 Cl N O3 SI 1 a 14.9308; 32.364; 5.4922
90; 93.654; 90
874.67Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.
2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate
Acta Crystallographica Section C, 2012, 68, o45-o50
2018401 CIF
HKL
Paper
C12 H17 Cl N2 O4 SP 1 21/m 19.1917; 6.9457; 11.8265
90; 105.538; 90
727.4Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.
2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate
Acta Crystallographica Section C, 2012, 68, o45-o50
2018402 CIF
HKL
Paper
C9 H14 Cl N O4 S2P -16.0394; 9.4441; 11.8044
71.078; 89.466; 81.207
628.83Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.
2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate
Acta Crystallographica Section C, 2012, 68, o45-o50
2018403 CIF
HKL
Paper
C24 H32 N6 O8 S2P b c a13.6306; 12.698; 15.5907
90; 90; 90
2698.5Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.
2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate
Acta Crystallographica Section C, 2012, 68, o45-o50
2018404 CIF
HKL
Paper
C6 H12 Cu5 N10P 1 21/c 17.6501; 8.9083; 13.2509
90; 123.086; 90
756.61Jia, Li-Na; Hou, Lei
Poly[tetraamminecopper(II) bis[tris(μ~2~-cyanido-κ^2^<i>C</i>,<i>N</i>)dicuprate(I)]]: a unique Cu^I^‒Cu^II^ mixed-valence complex containing anionic cuprous cyanide layers and [Cu(NH~3~)~4~]^2+^ cations
Acta Crystallographica Section C, 2012, 68, m45-m47

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