Crystallography Open Database

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2017761 CIF
HKL
Paper
C13 H12 F N O4P -16.3; 9.4753; 10.765
88.947; 79.81; 71.931
600.8Langer, Vratislav; Mach, Pavol; Smrčok, Ľubomír; Milata, Viktor; Plevová, Kristína
2-{[(3-Fluorophenyl)amino]methylidene}-3-oxobutanenitrile and 5-{[(3-fluorophenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione: X-ray and DFT studies
Acta Crystallographica Section C, 2010, 66, o392-o395
2017762 CIF
HKL
Paper
C18 H14 N2 O2P 1 21/c 17.9278; 15.2929; 22.41
90; 90.326; 90
2716.9Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher
Pseudomerohedral twinning, pseudosymmetry and complex hydrogen-bonded sheets in 2-methoxy-4-(pyrrolo[1,2-<i>a</i>]quinoxalin-4-yl)phenol
Acta Crystallographica Section C, 2010, 66, o385-o388
2017763 CIF
HKL
Paper
C18 H14 N2 O2P 1 21/c 17.9278; 15.2929; 22.41
90; 90.326; 90
2716.9Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher
Pseudomerohedral twinning, pseudosymmetry and complex hydrogen-bonded sheets in 2-methoxy-4-(pyrrolo[1,2-<i>a</i>]quinoxalin-4-yl)phenol
Acta Crystallographica Section C, 2010, 66, o385-o388
2017764 CIF
HKL
Paper
C26 H25 N3 O SP -18.382; 10.777; 12.745
73.18; 85.13; 76.43
1071.1Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
(9<i>E</i>)-9-Benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-5,6,7,8,9,10-hexahydropyrimido[4,5-<i>b</i>]quinolin-4(3<i>H</i>)-one: polarized molecules within hydrogen-bonded bilayers
Acta Crystallographica Section C, 2010, 66, o389-o391
2017765 CIF
HKL
Paper
C18 H14 Cd N2 O7C 1 2/c 114.1052; 16.8934; 8.8967
90; 127.451; 90
1683Xu, Guohai; Xie, Yongrong
Poly[aqua(μ~2~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)cadmium(II)], a threefold interpenetrating diamond net
Acta Crystallographica Section C, 2010, 66, m201-m203
2017766 CIF
HKL
Paper
C52 H54 Cl4 Cu4 N12 O20P 1 21/c 114.617; 33.273; 13.897
90; 109.39; 90
6375Li, Yan-Tuan; Li, Xiao-Wen; Wu, Zhi-Yong; Zhang, Xiao-Wei; Yan, Cui-Wei
Tetrakis(2,2'-bipyridine)-1κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'-{μ~4~-<i>N</i>,<i>N</i>'-bis[3-(2-oxidoethylamino)propyl]oxamidato(4{-})-1:2:3:4κ<i>O</i>:κ^3^<i>N</i>,<i>N</i>',<i>O</i>':κ^3^<i>O</i>'',<i>N</i>'',<i>N</i>''':κ<i>O</i>'''}tetracopper(II) tetrakis(perchlorate)
Acta Crystallographica Section C, 2010, 66, m211-m214
2017767 CIF
HKL
Paper
C27 H34 B F4 N O7P 21 21 218.863; 16.408; 18.806
90; 90; 90
2735Fu, Xue-qun; Yang, Yong-le; Ye, Qiong
4-Methoxyanilinium tetrafluoroborate‒dibenzo-18-crown-6 (1/1)
Acta Crystallographica Section C, 2010, 66, o433-o435
2017768 CIF
Paper
C13 H28 N4 O2P -115.3159; 8.74371; 6.2177
81.1652; 93.4835; 96.4282
816.8Al-Ktaifani, Mahmoud; Rukiah, Mwaffak
Powder X-ray studies of <i>meso</i>-hexamethyl propylene amine oxime (<i>meso</i>-HMPAO) in two different phases
Acta Crystallographica, Section C, 2010, 66, o479-o483
2017769 CIF
Paper
C13 H28 N4 O2P 1 21/n 116.4453; 15.9587; 6.20073
90; 94.7097; 90
1621.86Al-Ktaifani, Mahmoud; Rukiah, Mwaffak
Powder X-ray studies of <i>meso</i>-hexamethyl propylene amine oxime (<i>meso</i>-HMPAO) in two different phases
Acta Crystallographica, Section C, 2010, 66, o479-o483
2017771 CIF
Paper
C12 H10 F3 N O2P 1 21/c 18.0594; 8.8122; 15.9964
90; 99.4514; 90
1120.66Rukiah, Mwaffak; Assaad, Thaer
\ 2,2,2-Trifluoro-<i>N</i>-(1a,2,7,7a-tetrahydronaphtho[2,3-<i>b</i>]oxiren-3-yl)\ acetamide by X-ray powder diffraction
Acta Crystallographica, Section C, 2010, 66, o475-o478
2017785 CIF
HKL
Paper
C72 H52 Cu4 N30 O2P 1 21/c 110.5696; 27.589; 12.609
90; 109.039; 90
3475.7Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng
A mixed-valence chair-like tetranuclear copper(I,II) cluster with three linking modes of the 3,5-bis(2-pyridyl)-1,2,4-triazole ligand
Acta Crystallographica Section C, 2010, 66, m249-m252
2017786 CIF
HKL
Paper
C20 H23.2 Cu2 N8 O7.6 S2P 1 21/c 112.6991; 14.0263; 15.03
90; 107.103; 90
2558.77Nie, Jin-Ju; Li, Yan-Tuan; Wu, Zhi-Yong; Li, Xiao-Wen; Yan, Cui-Wei
<i>catena</i>-Poly[[(2,2'-diamino-4,4'-bithiazole){μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylatophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}dicopper(II)] nitrate 0.6-hydrate]
Acta Crystallographica Section C, 2010, 66, m323-m326
2017787 CIF
HKL
Paper
C10 H9 N5 OF d d 225.072; 46.996; 3.7592
90; 90; 90
4429.4Altaf, Muhammad; Stoeckli-Evans, Helen
Green chemistry synthesis: 2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide
Acta Crystallographica Section C, 2010, 66, o441-o445
2017788 CIF
HKL
Paper
C16 H12 N6 OP 1 21/c 110.573; 7.0457; 21.261
90; 114.503; 90
1441.2Altaf, Muhammad; Stoeckli-Evans, Helen
Green chemistry synthesis: 2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide
Acta Crystallographica Section C, 2010, 66, o441-o445
2017789 CIF
HKL
Paper
C16 H12 N6 OP 1 21/c 17.7315; 15.8398; 12.0572
90; 94.95; 90
1471.08Altaf, Muhammad; Stoeckli-Evans, Helen
Green chemistry synthesis: 2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide
Acta Crystallographica Section C, 2010, 66, o441-o445
2017790 CIF
HKL
Paper
C10 H14 N6 O3 SP 1 21/c 112.1365; 11.218; 10.3559
90; 108.57; 90
1336.52Canfora, Loredana; Pillet, Sebastien; Espinosa, Enrique; Ruisi, Giuseppe
7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carboxylic acid as the dimethylformamide and water monosolvates at 293K
Acta Crystallographica Section C, 2010, 66, o503-o507
2017791 CIF
HKL
Paper
C7 H9 N5 O3 SP 1 21/c 14.0134; 20.3287; 12.6897
90; 107.039; 90
989.87Canfora, Loredana; Pillet, Sebastien; Espinosa, Enrique; Ruisi, Giuseppe
7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carboxylic acid as the dimethylformamide and water monosolvates at 293K
Acta Crystallographica Section C, 2010, 66, o503-o507
2017792 CIF
HKL
Paper
C5 H8 N6 OP -16.9331; 7.1079; 7.5564
99.089; 98.029; 101.331
354.89Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
2,6-Diamino-9<i>H</i>-purine monohydrate and bis(2,6-diamino-9<i>H</i>-purin-1-ium) 2-(2-carboxylatophenyl)acetate heptahydrate: two simple structures with very complex hydrogen-bonding schemes
Acta Crystallographica Section C, 2010, 66, o547-o552
2017793 CIF
HKL
Paper
C19 H34 N12 O11P 1 21/c 18.928; 31.393; 10.091
90; 90.833; 90
2828Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
2,6-Diamino-9<i>H</i>-purine monohydrate and bis(2,6-diamino-9<i>H</i>-purin-1-ium) 2-(2-carboxylatophenyl)acetate heptahydrate: two simple structures with very complex hydrogen-bonding schemes
Acta Crystallographica Section C, 2010, 66, o547-o552
2017794 CIF
HKL
Paper
C6 H11 F O5P 21 21 215.1249; 13.7748; 21.9297
90; 90; 90
1548.12Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
Co-crystals of 3-deoxy-3-fluoro-α-<small>D</small>-glucopyranose and 3-deoxy-3-fluoro-β-<small>D</small>-glucopyranose
Acta Crystallographica Section C, 2010, 66, o557-o560
2017795 CIF
HKL
Paper
C12 H8 N2 O6 S2P 21 21 215.2585; 6.0483; 42.133
90; 90; 90
1340Brito, Iván; Albanez, Joselyn; Bolte, Michael; Cárdenas, Alejandro
<i>S</i>-(4-Nitrophenyl) 4-nitrobenzenethiosulfonate
Acta Crystallographica Section C, 2010, 66, o466-o468
2017796 CIF
HKL
Paper
C120 H92 Cr8 N4 O38C 1 2/c 123.406; 18.97; 27.592
90; 94.73; 90
12209Fielden, John; Ellern, Arkady; Kögerler, Paul
[Cr~8~(PhCO~2~)~16~O~4~]·4CH~3~CN·2H~2~O: structural origin of magnetic anisotropy in a molecular spin cluster
Acta Crystallographica Section C, 2010, 66, m253-m256
2017797 CIF
HKL
Paper
C20 H24 O2P 1 21/c 110.4995; 15.4913; 9.8227
90; 101.117; 90
1567.69Kennedy, Alan R.; Kerr, William J.; Paterson, Laura C.; Sutherland, Andrew
A tetrahydropentaleno[1,6a-<i>a</i>]naphthalen-4(2<i>H</i>)-one of defined relative stereochemistry for use towards Agariblazeispirol C
Acta Crystallographica Section C, 2010, 66, o473-o474
2017798 CIF
HKL
Paper
C52 H80 Cu2 N12 O16P 1 21/c 117.0125; 11.047; 17.2731
90; 110.385; 90
3042.95Ho, Douglas M.
A urea adduct of bis(hinokitiolato)copper(II)
Acta Crystallographica Section C, 2010, 66, m294-m299
2017799 CIF
HKL
Paper
C48 H60 O16 ThI 416.8182; 16.8182; 7.524
90; 90; 90
2128.2Nazarenko, Olga M.; Rusanova, Julia A.; Krautscheid, Harald; Domasevitch, Konstantin V.
<i>catena</i>-Poly[thorium(IV)-tetrakis(μ~2~-3-carboxyadamantane-1-carboxylato)]: a quadruple helical strand driven by a synergy of coordination and hydrogen bonding
Acta Crystallographica Section C, 2010, 66, m276-m279
2017800 CIF
HKL
Paper
C23 H20 N5 O4P -19.504; 9.888; 11.713
80.19; 81.13; 74.88
1040.1Xiao, Hailian; Wang, Guixue; Jian, Fangfang
Supramolecular interactions in the 2,6-bis(benzimidazol-2-yl)pyridine‒terephthalic acid‒water (2/1/4) cocrystal
Acta Crystallographica Section C, 2010, 66, o446-o448
2017801 CIF
HKL
Paper
C12 H13 Fe N O2P 1 21/c 113.72031; 7.34436; 11.04962
90; 106.12; 90
1069.66Förster, Christoph; Siebler, Daniel; Heinze, Katja
Ferrocene compounds: methyl 1'-aminoferrocene-1-carboxylate
Acta Crystallographica Section C, 2010, 66, m235-m237
2017802 CIF
HKL
Paper
C10 H14 N2 O9 Zn2P n a 2112.7099; 11.2854; 9.4153
90; 90; 90
1350.5Gelabert, Maria C.; Hart, Jennifer; Emge, Thomas J.
Hydrothermal synthesis and extended structure of poly[aqua(μ~5~-ethylenediaminetetraacetato)dizinc(II)]
Acta Crystallographica Section C, 2010, 66, m327-m329
2017803 CIF
HKL
Paper
C18 H24 Cl2 N6 O6 Zn2P -16.9061; 8.3585; 11.7666
75.066; 80.565; 76.003
633.04Wang, Jing-lin; Liu, Bin; Yang, Bin-sheng
Bis{μ-2-[(2-carbamoylhydrazin-1-ylidene)methyl]phenolato}bis[chloridozinc(II)] methanol disolvate, with non-aromatic‒aromatic π‒π stacking and N—H···Cl—Zn hydrogen bonding
Acta Crystallographica Section C, 2010, 66, m280-m282
2017804 CIF
HKL
Paper
C21 H18 Ag F3 N6 O3 SP 1 c 115.1215; 13.2206; 11.9113
90; 107.527; 90
2270.7Żyto, Magdalena; Wicher, Barbara; Gdaniec, Maria
Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)silver(I) trifluoromethanesulfonate: polar arrangement of trifluoromethanesulfonate anions in a pseudo-centrosymmetric framework of coordination cations
Acta Crystallographica Section C, 2010, 66, m355-m357
2017805 CIF
HKL
Paper
C13 H12 O4P 1 21/n 14.292; 23.2084; 11.4552
90; 95.393; 90
1136.01Landre, I. M. R.; Souza, T. E.; Corrêa, R. S.; Martins, F. T.; Doriguetto, A. C.
A monohydrate pseudopolymorph of 3,4-dihydroxybenzophenone and the role of water in the crystal assembly of benzophenones
Acta Crystallographica Section C, 2010, 66, o463-o465
2017806 CIF
HKL
Paper
C20 H17 Cl2 N OC 1 2/c 125.942; 9.4027; 14.667
90; 105.842; 90
3441.8Manszewski, Tomasz; Prukała, Dorota; Prukała, Wiesław; Kubicki, Maciej
Two isomorphous azastilbene derivatives: 1-(2-chlorobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium chloride and 1-(2-bromobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium bromide
Acta Crystallographica Section C, 2010, 66, o493-o495
2017807 CIF
HKL
Paper
C20 H17 Br2 N OC 1 2/c 126.462; 9.4974; 14.813
90; 105.793; 90
3582.3Manszewski, Tomasz; Prukała, Dorota; Prukała, Wiesław; Kubicki, Maciej
Two isomorphous azastilbene derivatives: 1-(2-chlorobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium chloride and 1-(2-bromobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium bromide
Acta Crystallographica Section C, 2010, 66, o493-o495
2017808 CIF
HKL
Paper
C22 H17 Co N4 O4P 1 21/n 19.3243; 11.0261; 19.675
90; 98.872; 90
1998.6Wang, Zi-Liang; Li, Ming-Xue
Poly[(μ~4~-biphenyl-3,3',4,4'-tetracarboxylato)bis[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene]dicobalt(II)]
Acta Crystallographica Section C, 2010, 66, m311-m313
2017809 CIF
HKL
Paper
C9 H21.4 N4 O7.7P 21 21 214.812; 15.505; 18.958
90; 90; 90
1414.5Görbitz, Carl Henrik
<small>L</small>-Histidyl-<small>L</small>-serine 3.7-hydrate: water channels in the crystal structure of a polar dipeptide
Acta Crystallographica Section C, 2010, 66, o531-o534
2017810 CIF
HKL
Paper
C24 H40 Cl4 N10 O5 S2P 21 21 217.008; 18.717; 24.825
90; 90; 90
3256.3Gainsford, Graeme J.; Evans, Gary B.; Johnston, Karen A.; Seth, Michael
Bis[(1<i>S</i>)-1,4-azanediyl-1-(9-deazaadenin-9-yl)-1,4-dideoxy-5-methylsulfanyl-<small>D</small>-ribitol] tetrakis(hydrochloride) monohydrate: structure, DFT energy and ligand docking results of a potent methylthioadenosine phosphorylase inhibitor found in different molecular conformations
Acta Crystallographica Section C, 2010, 66, o527-o530
2017811 CIF
HKL
Paper
C40 H30 Fe N20 O2 S2P c a 2117.006; 7.957; 31.76
90; 90; 90
4297.66Setifi, Zouaoui; Gaamoune, Bachir; Stoeckli-Evans, Helen; Rouag, Djamil-Azzeddine; Setifi, Fatima
A new coordination complex based on a polynitrile ligand: bis(4-amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)
Acta Crystallographica Section C, 2010, 66, m286-m289
2017812 CIF
HKL
Paper
C79 H62 Cl Ir N2 O4 P2P 1 21 122.2716; 12.6944; 23.6689
90; 109.749; 90
6298.19Linden, Anthony; Dorta, Romano
An optically pure P‒alkene-ligated Ir^I^ complex
Acta Crystallographica Section C, 2010, 66, m290-m293
2017813 CIF
HKL
Paper
C15 H16 N4 O2C 1 c 116.7558; 9.9188; 9.7665
90; 110.14; 90
1523.9Munro, Orde Q.; Wilson, Colin
Amide hydrogen bonding: control of the molecular and extended structures of two symmetrical pyridine-2-carboxamide derivatives
Acta Crystallographica Section C, 2010, 66, o535-o539
2017814 CIF
HKL
Paper
C16 H18 N4 O2P -15.3215; 7.2734; 9.7993
83.509; 77.256; 81.005
364.18Munro, Orde Q.; Wilson, Colin
Amide hydrogen bonding: control of the molecular and extended structures of two symmetrical pyridine-2-carboxamide derivatives
Acta Crystallographica Section C, 2010, 66, o535-o539
2017815 CIF
HKL
Paper
C18 H38 Cl2 N2 O4P 1 21/c 19.6668; 11.7616; 9.5471
90; 97.21; 90
1076.89de Sousa, Alvaro S.; Hlam, Zanele; Fernandes, Manuel A.; Marques, Helder M.
<i>N</i>,<i>N</i>'-Bis(2-hydroxycyclohexyl)-<i>N</i>,<i>N</i>'-bis(2-hydroxyethyl)ethane-1,2-diaminium dichloride
Acta Crystallographica Section C, 2010, 66, o553-o556
2017816 CIF
HKL
Paper
C6 H11 F O5P 21 21 216.5323; 9.2055; 12.6007
90; 90; 90
757.72Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
4-Deoxy-4-fluoro-β-<small>D</small>-glucopyranose
Acta Crystallographica Section C, 2010, 66, o496-o498
2017817 CIF
HKL
Paper
F8 Na3 TaC 1 2/c 111.5203; 5.3453; 11.154
90; 120.919; 90
589.25Langer, Vratislav; Smrčok, Ľubomír; Boča, Miroslav
Redetermination of Na~3~TaF~8~
Acta Crystallographica Section C, 2010, 66, i85-i86
2017818 CIF
HKL
Paper
C20 H36 Cu N6 O8 S2P 1 21/c 17.3878; 22.2436; 8.655
90; 93.716; 90
1419.3Şahin, Zarife Sibel; Sevindi, Fatma; İçbudak, Hasan; Işık, Şamil
Structural properties of <i>trans</i>-cyclohexane-1,2-diamine complexes of copper(II) and zinc(II) acesulfamates
Acta Crystallographica Section C, 2010, 66, m314-m318
2017819 CIF
HKL
Paper
C20 H44 N6 O12 S2 ZnP -16.7489; 8.8871; 13.5562
73.476; 80.522; 77.176
755.56Şahin, Zarife Sibel; Sevindi, Fatma; İçbudak, Hasan; Işık, Şamil
Structural properties of <i>trans</i>-cyclohexane-1,2-diamine complexes of copper(II) and zinc(II) acesulfamates
Acta Crystallographica Section C, 2010, 66, m314-m318
2017820 CIF
HKL
Paper
C30 H28 Cl2 Cu2 N6 O9 S2P -18.0705; 8.589; 25.177
83.096; 82.87; 73.675
1655.2Schmitt, Laurette; Labat, Gaël; Stoeckli-Evans, Helen
Crystal-to-crystal transformation upon dehydration of a copper(II) 2,2':6',2''-terpyridine complex
Acta Crystallographica Section C, 2010, 66, m343-m347
2017821 CIF
HKL
Paper
C30 H24 Cl2 Cu2 N6 O7 S2P -18.1961; 8.6029; 12.2566
107.927; 99.171; 105.244
765.7Schmitt, Laurette; Labat, Gaël; Stoeckli-Evans, Helen
Crystal-to-crystal transformation upon dehydration of a copper(II) 2,2':6',2''-terpyridine complex
Acta Crystallographica Section C, 2010, 66, m343-m347
2017822 CIF
HKL
Paper
C18 H24 Ba N6 O16 S6P 1 21/c 112.0121; 31.327; 8.8522
90; 109.794; 90
3134.3Lu, Qingxiang; Wang, Daqi; Wang, Suna
A novel (4,6)-connected double-layered Ba^II^ coordination polymer based on the flexible tricarboxylate ligand 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]triacetic acid
Acta Crystallographica Section C, 2010, 66, m351-m354
2017823 CIF
HKL
Paper
C7 H6 Cl N3 O4P 1 21/c 16.89; 20.3139; 7.2562
90; 113.138; 90
933.9Kruszynski, Rafal; Trzesowska-Kruszynska, Agata
Halogen, hydrogen and electrostatic interactions in 2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate and 2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate
Acta Crystallographica Section C, 2010, 66, o449-o454
2017824 CIF
HKL
Paper
C7 H6 Cl2 N2 O5P 1 21/c 16.1743; 17.6159; 9.7682
90; 101.869; 90
1039.7Kruszynski, Rafal; Trzesowska-Kruszynska, Agata
Halogen, hydrogen and electrostatic interactions in 2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate and 2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate
Acta Crystallographica Section C, 2010, 66, o449-o454
2017825 CIF
HKL
Paper
C16 H9 N O2 SP 1 21/n 114.185; 4.628; 18.483
90; 96.91; 90
1204.6Brüning, Jürgen; Heintz, Desiree; Meents, Alke; Bolte, Michael; Schmidt, Martin U.
Monothioindigo, determined by microcrystal structure analysis
Acta Crystallographica Section C, 2010, 66, o459-o462
2017826 CIF
HKL
Paper
C22 H26 Cu N6 O3 S2C 1 c 125.763; 8.5526; 24.496
90; 116.458; 90
4832.1Bon, Vladimir V.
The first square-planar copper(II) 1:2 complex with differently coordinated 2-hydroxybenzaldehyde 4-allylthiosemicarbazone ligands
Acta Crystallographica Section C, 2010, 66, m300-m302
2017827 CIF
HKL
Paper
C2 H6 O4.5 YbP -19.3235; 12.1765; 15.5502
109.796; 92.666; 108.745
1548.9Zehnder, Ralph A.; Renn, Robert A.; Fronczek, Frank R.
(Acetato-κ^2^<i>O</i>,<i>O</i>')dihydroxidoytterbium(III) hemihydrate
Acta Crystallographica Section C, 2010, 66, m307-m310
2017828 CIF
HKL
Paper
C20 H30 Cu2 N4 O17P 1 21/n 17.1545; 11.0251; 18.1342
90; 98.349; 90
1415.25Perec, Mireille; Baggio, Ricardo
Aqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide-κ<i>N</i>^1^)copper(II) sesquihydrate
Acta Crystallographica Section C, 2010, 66, m339-m342
2017829 CIF
HKL
Paper
C9 H12 N6 O3P 1 21 17.1469; 8.7025; 9.11
90; 104.056; 90
549.64Jiang, Dawei; He, Yang; Budow, Simone; Kazimierczuk, Zygmunt; Eickmeier, Henning; Reuter, Hans; Seela, Frank
7-Amino-1-(2-deoxy-β-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidine: an 8-azaadenine nucleoside with the nucleobase in a <i>syn</i> conformation
Acta Crystallographica Section C, 2010, 66, o561-o564
2017830 CIF
HKL
Paper
C60 H60.74 Co2 N15 O16.87C 1 2/c 119.068; 16.017; 20.013
90; 104.353; 90
5921.4Czapik, Agnieszka; Gdaniec, Maria
Two cobalt(III) mono-dimethylglyoximates isolated from one reaction
Acta Crystallographica Section C, 2010, 66, m257-m262
2017831 CIF
HKL
Paper
C30 H29.8 Co N8 O9.4P 1 21/c 113.7587; 11.9763; 18.2055
90; 96.744; 90
2979.11Czapik, Agnieszka; Gdaniec, Maria
Two cobalt(III) mono-dimethylglyoximates isolated from one reaction
Acta Crystallographica Section C, 2010, 66, m257-m262
2017832 CIF
HKL
Paper
C10 H22 N6 O7 PtP 1 21 112.6799; 12.0326; 11.6791
90; 94.5495; 90
1776.29Pažout, Richard; Housková, Jitka; Dušek, Michal; Maixner, Jaroslav; Cibulková, Jana; Kačer, Petr
A new [(1<i>R</i>,2<i>R</i>)-1,2-diaminocyclohexane]platinum(II) complex: formation by nitrate‒acetonitrile ligand exchange
Acta Crystallographica Section C, 2010, 66, m273-m275
2017833 CIF
HKL
Paper
C29 H18 F3 N3P 6523.0675; 23.0675; 21.716
90; 90; 120
10007.2Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna
1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K
Acta Crystallographica Section C, 2010, 66, o488-o492
2017834 CIF
HKL
Paper
C29 H18 F3 N3P 6523.2368; 23.2368; 22.1155
90; 90; 120
10341.4Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna
1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K
Acta Crystallographica Section C, 2010, 66, o488-o492
2017835 CIF
HKL
Paper
C6 H24 N6 O4 S ZnP -38.8941; 8.8941; 9.68482
90; 90; 120
663.478Lutz, Martin
Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate
Acta Crystallographica Section C, 2010, 66, m330-m335
2017836 CIF
HKL
Paper
C6 H24 Cu N6 O4 SA -18.8749; 17.6358; 19.1559
89.582; 90.296; 119.845
2600.5Lutz, Martin
Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate
Acta Crystallographica Section C, 2010, 66, m330-m335
2017837 CIF
HKL
Paper
C20 H17 N OP 1 21 18.974; 7.1817; 22.718
90; 95.39; 90
1457.7Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions
Acta Crystallographica Section C, 2010, 66, o540-o546
2017838 CIF
HKL
Paper
C21 H19 N OP 1 21/c 110.776; 8.9612; 15.4241
90; 96.799; 90
1479Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions
Acta Crystallographica Section C, 2010, 66, o540-o546
2017839 CIF
HKL
Paper
C21 H16 F3 N O2P 21 21 217.2209; 13.14; 17.559
90; 90; 90
1666Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions
Acta Crystallographica Section C, 2010, 66, o540-o546
2017840 CIF
HKL
Paper
C21 H18 Cl N OP 21 21 217.4394; 14.498; 15.136
90; 90; 90
1632.5Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions
Acta Crystallographica Section C, 2010, 66, o540-o546
2017841 CIF
Paper
C18 H30 Cl2 Cu N6 O14P -18.4577; 9.8762; 17.7889
88.392; 85.871; 83.69
1472.77Kellett, Andrew; Rosair, Georgina; Devereux, Michael; McNamara, Mary; McCann, Malachy
Hexakis(prop-2-enamide)copper(II) bis(perchlorate) and hexakis(prop-2-enamide)manganese(II) bis(perchlorate)
Acta Crystallographica Section C, 2010, 66, m358-m362
2017842 CIF
HKL
Paper
C18 H30 Cl2 Mn N6 O14P 1 21/c 19.2804; 15.9533; 10.6876
90; 111.642; 90
1470.79Kellett, Andrew; Rosair, Georgina; Devereux, Michael; McNamara, Mary; McCann, Malachy
Hexakis(prop-2-enamide)copper(II) bis(perchlorate) and hexakis(prop-2-enamide)manganese(II) bis(perchlorate)
Acta Crystallographica Section C, 2010, 66, m358-m362
2017843 CIF
HKL
Paper
C18 H18 Cl N4 O2.5C 1 2/c 118.8725; 18.4777; 13.417
90; 134.307; 90
3348.2Trilleras, Jorge; López, Luis G.; Cobo, Justo; Glidewell, Christopher
10-Benzyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-<i>b</i>]quinolin-2-iminium chloride sesquihydrate: a polarized electronic structure within a complex hydrogen-bonded sheet structure
Acta Crystallographica Section C, 2010, 66, o469-o472
2017844 CIF
HKL
Paper
C32 H30 O10P 1 21/c 117.8278; 26.2103; 12.2116
90; 108.069; 90
5424.7Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K.
6,6'-Dimethoxygossypolone
Acta Crystallographica Section C, 2010, 66, o517-o520
2017845 CIF
HKL
Paper
Al12.59 Fe6.41P -14.8745; 6.4545; 8.7361
87.93; 74.396; 83.062
262.79Chumak, Ihor; Richter, Klaus W.; Ehrenberg, Helmut
Redetermination of iron dialuminide, FeAl~2~
Acta Crystallographica Section C, 2010, 66, i87-i88
2017846 CIF
HKL
Paper
C22 H40 Cl2 Co N4P 1 21/n 112.483; 17.516; 12.604
90; 90.22; 90
2755.9Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James
Intramolecular hydrogen bonding in dichloridobis(3,5-di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) as a consequence of ligand steric bulk
Acta Crystallographica Section C, 2010, 66, m336-m338
2017847 CIF
HKL
Paper
B2 Mg5 O10 TiP b a m9.2636; 12.2989; 3.01309
90; 90; 90
343.29Kawano, Tetsuya; Yamane, Hisanori
Mg~5~TiO~4~(BO~3~)~2~
Acta Crystallographica Section C, 2010, 66, i92-i94
2017848 CIF
Paper
C10 H16 Cd2 N2 O10P 1 21/n 18.464; 19.2334; 9.0134
90; 94.68; 90
1462.41Yang, Er-Lei; Jiang, Yun-Liang; Wang, Yu-Ling; Liu, Qing-Yan
Poly[[aqua(μ~7~-ethylenediaminetetraacetato)dicadmium(II)] monohydrate]
Acta Crystallographica Section C, 2010, 66, m231-m234
2017849 CIF
HKL
Paper
C10 H28 Cl2 Co N5 O13P 1 21 111.6507; 8.76; 11.7169
90; 113.572; 90
1096.05Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne
Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato]cobalt(III) bis(perchlorate) monohydrate
Acta Crystallographica Section C, 2010, 66, m319-m322
2017850 CIF
HKL
Paper
C10 H28 Cl2 Co N5 O13P 43 21 29.2898; 9.2898; 48.9696
90; 90; 90
4226.1Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne
Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato]cobalt(III) bis(perchlorate) monohydrate
Acta Crystallographica Section C, 2010, 66, m319-m322
2017851 CIF
HKL
Paper
C12 H9 F N2 OP 1 21/c 18.25; 6.0649; 20.5484
90; 96.479; 90
1021.58Wilson, Colin R.; Munro, Orde Q.
Unconventional hydrogen bonding and π-stacking in two substituted pyridine carboxamides
Acta Crystallographica Section C, 2010, 66, o513-o516
2017852 CIF
Paper
C12 H9 N3 O3P -16.149; 7.3055; 13.6613
100.162; 97.147; 112.76
544.33Wilson, Colin R.; Munro, Orde Q.
Unconventional hydrogen bonding and π-stacking in two substituted pyridine carboxamides
Acta Crystallographica Section C, 2010, 66, o513-o516
2017853 CIF
HKL
Paper
C32 H72 Cl14 N2 W6P 1 21/c 122.3152; 11.722; 22.2786
90; 112.415; 90
5387.31Johnston, Dean H.; Brown, Chris M.; Yu, Andrew S.; Gallucci, Judith C.
A low-temperature phase of bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate
Acta Crystallographica Section C, 2010, 66, m303-m306
2017854 CIF
HKL
Paper
C32 H72 Cl14 N2 W6P 1 21/c 122.3689; 11.7596; 22.3108
90; 112.32; 90
5429.13Johnston, Dean H.; Brown, Chris M.; Yu, Andrew S.; Gallucci, Judith C.
A low-temperature phase of bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate
Acta Crystallographica Section C, 2010, 66, m303-m306
2017855 CIF
HKL
Paper
C19 H15 N OP b c a17.467; 9.205; 18.183
90; 90; 90
2923.5Choudhury, Diganta; Banik, Abhijit; Sarma, Rupam
<i>N</i>,<i>N</i>-Diphenylbenzamide
Acta Crystallographica Section C, 2010, 66, o524-o526
2017856 CIF
Paper
C20 H68 Ag2 N10 O20 S2P 1 21/n 16.3902; 31.1619; 10.5428
90; 93.77; 90
2094.85Guo, Peng; Wang, Jing; Pan, Dao-cheng; Xu, Guo-Hai
Poly[diaquabis(μ~3~-hexamethylenetetramine)[μ~2~-2,2'-(piperazine-1,4-diyl)bis(ethanesulfonato)]disilver(I)]: a three-dimensional pillared-layer framework encapsulating a water chain of (H~2~O)~12~ clusters
Acta Crystallographica Section C, 2010, 66, m266-m268
2017857 CIF
HKL
Paper
C10 H40 N4 Ni2 O16 S2P -18.0997; 8.436; 9.3521
98.558; 99.869; 91.64
621.59Churchard, Andrew James; Cyrański, Michał Ksawery; Grochala, Wojciech
Hexaaquanickel(II) disulfato(1,4,8,11-tetraazacyclotetradecane)nickelate(II) dihydrate
Acta Crystallographica Section C, 2010, 66, m263-m265
2017858 CIF
HKL
Paper
C17 H13 F N2 O3P 1 21/c 17.5621; 24.0471; 8.8524
90; 111.966; 90
1492.92Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Neves, M. A. C.; Sá e Melo, M. L.
6-[(4-Fluorophenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol
Acta Crystallographica Section C, 2010, 66, o499-o502
2017859 CIF
HKL
Paper
C18 H16 N2 O4P -17.6404; 8.8734; 13.0368
100.627; 91.113; 109.804
814.1Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Neves, M. A. C.; Sá e Melo, M. L.
6-[(4-Fluorophenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol
Acta Crystallographica Section C, 2010, 66, o499-o502
2017860 CIF
HKL
Paper
C26 H28 N2 O14 S2P 1 21/c 115.1851; 18.6584; 19.9114
90; 91.3; 90
5640Yin, Wen-xing; Huang, Xue-ying; Xu, Xing-man; Meng, Xiang-gao
Two three-dimensional networks in two polymorphs of biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate
Acta Crystallographica Section C, 2010, 66, o508-o512
2017861 CIF
HKL
Paper
C26 H28 N2 O14 S2P -18.6625; 9.2851; 9.7249
76.514; 72.834; 77.947
718.4Yin, Wen-xing; Huang, Xue-ying; Xu, Xing-man; Meng, Xiang-gao
Two three-dimensional networks in two polymorphs of biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate
Acta Crystallographica Section C, 2010, 66, o508-o512
2017862 CIF
HKL
Paper
C9 H10 N4 O3P -14.176; 11.296; 12.07
116.929; 90.478; 95.767
504.13Gálvez, Jaime A.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher
2-Cyano-<i>N</i>-(4,6-dimethoxypyrimidin-2-yl)acetamide: complex sheets built from N—H···O and C—H···O hydrogen bonds
Acta Crystallographica Section C, 2010, 66, o521-o523
2017863 CIF
Paper
C21 H11.5 N7 O2.25 ZnP b c a17.3649; 8.6087; 23.8669
90; 90; 90
3567.8Lu, Rui-Yun; Luan, Guo-You; Han, Zheng-Bo
A two-dimensional Zn^II^ coordination polymer constructed by benzotriazole-5-carboxylate and 1,4,8,9-tetraazatriphenylene
Acta Crystallographica Section C, 2010, 66, m283-m285
2017864 CIF
HKL
Paper
H4.5 Hg K2 O8.25 S2C 1 2/c 124.0774; 8.5348; 19.2633
90; 109.634; 90
3728.4Weil, Matthias; Baumann, Stefan O.; Breitinger, Dietrich K.
K~2~[Hg(SO~3~)~2~]·2.25H~2~O
Acta Crystallographica Section C, 2010, 66, i89-i91
2017865 CIF
HKL
Paper
C52 H30 N10 O8 Pb2P -110.9066; 15.0537; 15.0663
75.89; 74.199; 81.399
2299.2Xu, Zhan-Lin; Ma, Xiao-Yuan; Ma, Shuai; Wang, Xiu-Yan
Poly[bis(μ-benzene-1,4-dicarboxylato)bis[μ-6-(4-pyridyl)-5<i>H</i>-imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)]: an interpenetrating α-Po net
Acta Crystallographica Section C, 2010, 66, m245-m248
2017866 CIF
HKL
Paper
Al0.91 As6 Co5.63 Na4 O24C 1 2/m 110.744; 14.847; 6.722
90; 105.51; 90
1033.2Marzouki, Riadh; Guesmi, Abderrahmen; Driss, Ahmed
The novel arsenate Na~4~Co~7{-~<i>x</i>}Al~2/3<i>x~</i>(AsO~4~)~6~ (<i>x</i> = 1.37): crystal structure, charge-distribution and bond-valence-sum investigations
Acta Crystallographica Section C, 2010, 66, i95-i98
2017867 CIF
HKL
Paper
C14 H38 Cd3 Cl12 N4 O4C 1 2/m 120.218; 7.968; 10.208
90; 91.288; 90
1644.1Xiao, Jing-Mei
<i>catena</i>-Poly[bis[1-chloromethyl-1,4-diazoniabicyclo[2.2.2]octane] [cadmium(II)-tri-μ-chlorido-[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-tri-μ-chlorido] tetrahydrate]
Acta Crystallographica Section C, 2010, 66, m348-m350
2017868 CIF
HKL
Paper
C14 H20 N2 O10P 1 21/n 14.8188; 14.6889; 11.2087
90; 91.855; 90
792.97Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel
Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations
Acta Crystallographica Section C, 2010, 66, m238-m244
2017869 CIF
HKL
Paper
C28 H26 La2 O22P -110.2508; 11.1655; 14.7606
79.5944; 82.151; 69.9402
1555.74Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel
Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations
Acta Crystallographica Section C, 2010, 66, m238-m244
2017870 CIF
HKL
Paper
C14 H18 O13 ZnP 1 21/c 18.9186; 12.2656; 16.3199
90; 91.384; 90
1784.75Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel
Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations
Acta Crystallographica Section C, 2010, 66, m238-m244
2017871 CIF
HKL
Paper
C24 H26 N2 O14 Zn2P -17.7218; 8.352; 10.7204
108.621; 94.915; 92.412
651.01Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel
Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations
Acta Crystallographica Section C, 2010, 66, m238-m244
2017872 CIF
HKL
Paper
C12 H16 Cu2 F6 N12 O2 V2P 1 21/n 16.163; 13.7698; 12.4856
90; 101.37; 90
1038.77Sharga, Olena V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.
A three-dimensional heterometallic Cu^I^/V^IV^ 1,2-bis(1,2,4-triazol-4-yl)ethane framework: a new insight into the structure of vanadium oxyfluoride coordination hybrids
Acta Crystallographica Section C, 2010, 66, m269-m272
2017873 CIF
HKL
Paper
C23 H23 N5 O3P 1 21/n 18.1826; 18.153; 13.4723
90; 92.601; 90
1999.1Ashiq, Muhammad Irfan; Hussain, Ishtiaq; Dixon, Sally; Light, Mark E.; Kilburn, Jeremy D.
Dimeric supramolecular motifs of two carboxylate‒guanidinium compounds
Acta Crystallographica Section C, 2010, 66, o455-o458
2017874 CIF
HKL
Paper
C26 H30 N6 O5P -111.0848; 11.5591; 11.9676
99.956; 98.908; 117.818
1286.03Ashiq, Muhammad Irfan; Hussain, Ishtiaq; Dixon, Sally; Light, Mark E.; Kilburn, Jeremy D.
Dimeric supramolecular motifs of two carboxylate‒guanidinium compounds
Acta Crystallographica Section C, 2010, 66, o455-o458

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