Crystallography Open Database

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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
2018405 CIF
Paper
Bi1.62 In8.38 Pb5 S20P 1 21/m 127.065; 3.8825; 15.683
90; 103.59; 90
1601.8Reis, I.; Krämer, V.; Seiler, A.; Topa, D.; Keller, E.
Pb~5.0(1)~In~8.4(1)~Bi~1.6(1)~S~20~, a new quaternary lead indium bismuth sulfide
Acta Crystallographica Section C, 2012, 68, i12-i16
2018406 CIF
HKL
Paper
C17 H21 N3 O7 UP b c a11.0737; 18.0705; 20.1156
90; 90; 90
4025.3Raspertova, Ilona; Doroschuk, Roman; Khomenko, Dmytro; Lampeka, Rostislav
Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5-diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate
Acta Crystallographica Section C, 2012, 68, m61-m63
2018407 CIF
HKL
Paper
C29 H34 Cl2 N2 O2P 1 21/c 116.6542; 12.2529; 13.141
90; 101.577; 90
2627Brüning, Jürgen; Podgorski, Dragica; Alig, Edith; Bats, Jan W.; Schmidt, Martin U.
Antidiarrhetic loperamide hydrochloride
Acta Crystallographica Section C, 2012, 68, o111-o113
2018408 CIF
HKL
Paper
C35 H26 Cd4 N10 O15P 1 21/n 115.574; 16.197; 16.928
90; 109.21; 90
4032.4Fan, Chunhua; Yue, Yanfeng; Lu, Zhengliang
A novel three-dimensional Cd^II^ coordination polymer: poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~-pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate]
Acta Crystallographica Section C, 2012, 68, m76-m79
2018409 CIF
HKL
Paper
C4 H10 N2 OC m c 2120.5281; 8.1474; 9.9637
90; 90; 90
1666.44Döring, Cindy; Taouss, Christina; Jones, Peter G.
Trimethylurea
Acta Crystallographica Section C, 2012, 68, o108-o110
2018410 CIF
HKL
Paper
C3 H5 Cd N O4R -3 :H17.3662; 17.3662; 11.4425
90; 90; 120
2988.6Yuan, Shuai; Liu, Mei-Jiao; Xie, Han-Yi; Xu, Meng-Zhen; Sun, Di
A novel three-dimensional Cd^II^ metal‒organic framework based on [Cd~6~(malonate)~6~] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-μ~3~-malonato-cadmium(II)]
Acta Crystallographica Section C, 2012, 68, m57-m60
2018411 CIF
HKL
Paper
C11 H18 N2P -18.214; 11.0624; 12.1981
94.242; 108.319; 102.609
1014.6Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen
2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole and its amide derivative 1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone
Acta Crystallographica Section C, 2012, 68, o119-o122
2018412 CIF
HKL
Paper
C13 H20 N2 OP -17.0746; 8.1309; 11.125
89.325; 88.878; 68.222
594.15Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen
2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole and its amide derivative 1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone
Acta Crystallographica Section C, 2012, 68, o119-o122
2018413 CIF
HKL
Paper
C48 H20 F19 N4 O3 PP 1 21/c 115.53; 11.2539; 26.375
90; 100.024; 90
4539.3Pereira, Carla F.; Fernandes, José A.; Rodrigues, João M. M.; Vilela, Sérgio M. F.; Tomé, João P. C.; Almeida Paz, Filipe A.
5-[4-(Diethoxyphosphoryl)-2,3,5,6-tetrafluorophenyl]-10,15,20-tris(pentafluorophenyl)porphyrin
Acta Crystallographica Section C, 2012, 68, o104-o107
2018414 CIF
HKL
Paper
C15 H20 Cu N2 O4P 1 21/n 17.5686; 8.2944; 26.425
90; 93.944; 90
1654.95Perdih, Franc
(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II) and (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)
Acta Crystallographica Section C, 2012, 68, m64-m68
2018415 CIF
HKL
Paper
C14 H19 Cu N3 O4P 1 21/n 17.5686; 8.3504; 25.6871
90; 93.081; 90
1621.1Perdih, Franc
(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II) and (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)
Acta Crystallographica Section C, 2012, 68, m64-m68
2018416 CIF
Paper
C17 H26 La N5 O9P -18.9484; 11.4743; 12.3985
68.978; 84.418; 78.501
1164Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate]
Acta Crystallographica Section C, 2012, 68, m53-m56
2018417 CIF
HKL
Paper
Ni3.17 Sn2.67 Zn0.67C m c m4.152; 12.603; 11.657
90; 90; 90
610Schmetterer, Clemens; Effenberger, Herta Silvia; Marker, Martin C. J.; Flandorfer, Hans
Ni~5-{δ~}Sn~4~Zn (δσim 0.25) from single-crystal data
Acta Crystallographica Section C, 2012, 68, i9-i11
2018418 CIF
HKL
Paper
C9 H14 Cl2 N6 O2P 1 21/c 15.25191; 12.2401; 21.4088
90; 93.2353; 90
1374.05Bekö, Sándor L.; Urmann, David; Lakatos, Andrea; Glaubitz, Clemens; Schmidt, Martin U.
Nimustine hydrochloride: the first crystal structure determination of a 2-chloroethyl-<i>N</i>-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR
Acta Crystallographica Section C, 2012, 68, o144-o148
2018419 CIF
HKL
Paper
Co4 H60 Mo12 O64P 1 21/m 112.061; 18.151; 12.129
90; 93.403; 90
2650.6Ellern, Arkady; Kögerler, Paul
[Co^II^~4~Mo^V^~12~O~28~(OH)~12~(H~2~O)~12~]·12H~2~O: facilitating single-crystal growth by deuteration
Acta Crystallographica Section C, 2012, 68, i17-i19
2018420 CIF
HKL
Paper
C H10 N2 O5P 1 2/n 17.5657; 9.9027; 7.5819
90; 98.05; 90
562.45Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia
Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds
Acta Crystallographica Section C, 2012, 68, i20-i24
2018421 CIF
HKL
Paper
C H6 Cs2 O9P c c n17.82; 5.9357; 16.888
90; 90; 90
1786.3Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia
Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds
Acta Crystallographica Section C, 2012, 68, i20-i24
2018422 CIF
Paper
C9 H5 Mn O4P 1 21/c 17.9011; 11.4482; 12.4541
90; 129.22; 90
872.74Romanov, Alexander S.; Angles, Gary F.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.
Tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I) and tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I) containing short π(CO)···π(CO) and π(CO)···π interactions
Acta Crystallographica Section C, 2012, 68, m69-m72
2018423 CIF
HKL
Paper
C9 H5 O4 ReP 1 21/c 18.0768; 11.5037; 12.3457
90; 127.86; 90
905.63Romanov, Alexander S.; Angles, Gary F.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.
Tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I) and tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I) containing short π(CO)···π(CO) and π(CO)···π interactions
Acta Crystallographica Section C, 2012, 68, m69-m72
2018424 CIF
HKL
Paper
C20 H15 Br Cl N OP 1 21/c 111.5083; 8.1027; 18.321
90; 110.505; 90
1600.2Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
(2<i>RS</i>,4<i>SR</i>)-7-Bromo-2-<i>exo</i>-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: sheets built by the π-stacking of hydrogen-bonded chains
Acta Crystallographica Section C, 2012, 68, o123-o125
2018425 CIF
HKL
Paper
C18 H25 Cl2 Mo2 N7 O5P b c m8.6346; 21.6152; 13.6021
90; 90; 90
2538.7Gago, Sandra; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Gonçalves, Isabel S.; Almeida Paz, Filipe A.
A novel dinuclear Mo^VI^ complex with tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane
Acta Crystallographica Section C, 2012, 68, m73-m75
2018426 CIF
HKL
Paper
C29 H57 Dy2 N5 O23P -110.614; 10.808; 11.338
73.075; 83.958; 61.833
1096.2Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue
Acta Crystallographica Section C, 2012, 68, m80-m84
2018427 CIF
HKL
Paper
C29 H57 N5 O23 Sm2P -110.633; 10.847; 11.397
73.126; 83.926; 61.784
1107.6Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue
Acta Crystallographica Section C, 2012, 68, m80-m84
2018428 CIF
HKL
Paper
C14 H12 N2 O4P 1 21/c 17.2248; 18.1447; 9.4504
90; 94.279; 90
1235.42Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions
Acta Crystallographica Section C, 2012, 68, o131-o140
2018429 CIF
HKL
Paper
C15 H15 F N2 OC 1 2/c 127.141; 5.4082; 17.2849
90; 103.275; 90
2469.4Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions
Acta Crystallographica Section C, 2012, 68, o131-o140
2018430 CIF
HKL
Paper
C15 H14 F N O2P 1 21/c 15.5265; 10.6652; 20.905
90; 97.166; 90
1222.5Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions
Acta Crystallographica Section C, 2012, 68, o131-o140
2018431 CIF
HKL
Paper
C15 H14 F N O SP 1 21/n 19.272; 10.9142; 12.963
90; 101.023; 90
1287.6Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions
Acta Crystallographica Section C, 2012, 68, o131-o140
2018432 CIF
HKL
Paper
C15 H14 F N O SP 1 21/c 19.2106; 10.906; 13.4259
90; 106.086; 90
1295.8Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions
Acta Crystallographica Section C, 2012, 68, o131-o140
2018433 CIF
HKL
Paper
C15 H14 Cl N O2P 1 21/n 110.2835; 5.4829; 23.428
90; 96.665; 90
1312Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions
Acta Crystallographica Section C, 2012, 68, o131-o140
2018434 CIF
HKL
Paper
C16 H14 F3 N O3P -15.5088; 10.7619; 13.1398
110.011; 98.797; 92.271
719.8Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions
Acta Crystallographica Section C, 2012, 68, o131-o140
2018435 CIF
HKL
Paper
C16 H14 F3 N O2 SP 1 21/c 116.234; 5.6113; 16.665
90; 106.143; 90
1458.2Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions
Acta Crystallographica Section C, 2012, 68, o131-o140
2018436 CIF
HKL
Paper
C15 H11 F3 N2 O5P 1 21/c 120.412; 7.369; 10.035
90; 103.091; 90
1470.2Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions
Acta Crystallographica Section C, 2012, 68, o131-o140
2018437 CIF
HKL
Paper
C17 H23 N3 O3P 1 21/c 17.9622; 14.3492; 14.6469
90; 97.21; 90
1660.19Ejsmont, Krzysztof; Kudelko, Agnieszka; Zieliński, Wojciech
1-[(1-Ethoxypropylidene)amino]-2-ethyl-4-(4-hydroxybenzyl)imidazol-5(4<i>H</i>)-one
Acta Crystallographica Section C, 2012, 68, o141-o143
2018438 CIF
Paper
C8 H9 N O2P b c 2110.037; 5.33; 29.57
90; 90; 90
1581.9Mata, Ignasi; Molins, Elies; Amat, Mercedes; Llor, Núria; Checa, Begoña
C—H···<i>X</i> (<i>X</i> = O, N or π) interactions in benzyl carbamate
Acta Crystallographica Section C, 2012, 68, o114-o118

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