Crystallography Open Database

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2017661 CIF
HKL
Paper
C100 H110 Cu5 O20P -19.6263; 12.8911; 19.4499
72.847; 79.812; 88.897
2268.5Ho, Douglas M.
Bis(hinokitiolato)copper(II): modification (III)
Acta Crystallographica Section C, 2010, 66, m145-m148
2017662 CIF
Paper
C23 H26 Br N3 O4P 21 21 216.0741; 13.8336; 26.076
90; 90; 90
2191.1Nichol, Gary S.; Murigi, Francis N.; Mash, Eugene A.
A synchrotron study of (2<i>R</i>,5'<i>S</i>)-5'-benzyl-5-bromo-6-methoxyspiro[indane-2,2'-piperazine]-3',6'-dione dimethylformamide solvate
Acta Crystallographica Section C, 2010, 66, o302-o304
2017663 CIF
HKL
Paper
As2 O6 Zn3P 1 21/c 18.2438; 5.1781; 15.8222
90; 97.445; 90
669.71Harrison, William T. A.
β-Zn~3~(AsO~3~)~2~
Acta Crystallographica Section C, 2010, 66, i64-i66
2017664 CIF
HKL
Paper
C17 H28 N7 O12 PP 1 21 114.195; 4.816; 17.029
90; 102.58; 90
1136.2Ślepokura, Katarzyna; Petrus, Rafał
Nucleotide‒amino acid interactions in the <small>L</small>-His‒IMP·MeOH·H~2~O complex
Acta Crystallographica Section C, 2010, 66, o265-o269
2017665 CIF
HKL
Paper
Ag2.535 Mo12 Se15 Tl2P -39.9962; 9.9962; 15.5364
90; 90; 120
1344.47Gougeon, P.; Gall, P.; Gautier, R.; Potel, M.
Ag~2.54~Tl~2~Mo~12~Se~15~: a new structure type containing Mo~6~ and Mo~9~ clusters
Acta Crystallographica Section C, 2010, 66, i67-i70
2017666 CIF
HKL
Paper
C12 H13 N4 O4.5C 1 2/c 127.2046; 7.3566; 12.6687
90; 91.621; 90
2534.41Portalone, Gustavo
Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives
Acta Crystallographica Section C, 2010, 66, o295-o301
2017667 CIF
HKL
Paper
C12 H18 N4 O7P 1 21/n 111.3562; 6.0402; 22.3763
90; 96.221; 90
1525.84Portalone, Gustavo
Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives
Acta Crystallographica Section C, 2010, 66, o295-o301
2017668 CIF
HKL
Paper
C11 H15 N5 O7P 1 21/n 110.7607; 5.0998; 27.2412
90; 98.2485; 90
1479.46Portalone, Gustavo
Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives
Acta Crystallographica Section C, 2010, 66, o295-o301
2017669 CIF
HKL
Paper
C11 H11 N5 O4P -14.3625; 10.4461; 13.8556
78.551; 86.841; 84.051
615.13Portalone, Gustavo
Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives
Acta Crystallographica Section C, 2010, 66, o295-o301
2017670 CIF
HKL
Paper
C18 H26 N4 O4P 21 21 217.009; 10.504; 25.562
90; 90; 90
1881.94Ejsmont, Krzysztof; Boeglin, Joel; Didierjean, Claude; Guichard, Gilles; Jelsch, Christian
5-(3,4-Dimethoxybenzyl)-7-isopropyl-1,3,5-triazepane-2,6-dione acetonitrile solvate refined using a multipolar atom model
Acta Crystallographica Section C, 2010, 66, o292-o294
2017671 CIF
HKL
Paper
C10 H22 Mg N4 O16 P4P -17.468; 8.439; 9.819
105.11; 111.98; 97.04
537Freire, Eleonora; Vega, Daniel R.; Baggio, Ricardo
Zoledronate complexes. III. Two zoledronate complexes with alkaline earth metals: [Mg(C~5~H~9~N~2~O~7~P~2~)~2~(H~2~O)~2~] and [Ca(C~5~H~8~N~2~O~7~P~2~)(H~2~O)]~<i>n~</i>
Acta Crystallographica Section C, 2010, 66, m166-m170
2017672 CIF
HKL
Paper
C5 H10 Ca N2 O8 P2P 1 21/c 113.7027; 7.0429; 11.004
90; 94.007; 90
1059.4Freire, Eleonora; Vega, Daniel R.; Baggio, Ricardo
Zoledronate complexes. III. Two zoledronate complexes with alkaline earth metals: [Mg(C~5~H~9~N~2~O~7~P~2~)~2~(H~2~O)~2~] and [Ca(C~5~H~8~N~2~O~7~P~2~)(H~2~O)]~<i>n~</i>
Acta Crystallographica Section C, 2010, 66, m166-m170
2017673 CIF
HKL
Paper
C31 H30 N2P 21 21 219.0996; 11.2154; 23.974
90; 90; 90
2446.7Howard, Ruth H.; Theobald, Nicola; Bochmann, Manfred; Wright, Joseph A.
1-[2-(2,6-Diisopropylanilino)-1-naphthyl]isoquinoline
Acta Crystallographica Section C, 2010, 66, o310-o312
2017674 CIF
HKL
Paper
C16 H14 F6 N2 O2P 1 21/n 112.9726; 4.7485; 14.1782
90; 116.309; 90
782.91Lu, Norman; Tu, Wen-Han; Wu, Zong-Wei; Wen, Yuh-Sheng; Liu, Ling-Kang
4,4'-Bis(2,2,2-trifluoroethoxymethyl)-2,2'-bipyridine
Acta Crystallographica Section C, 2010, 66, o289-o291
2017675 CIF
HKL
Paper
C19 H20 Cl N OP 1 21/c 18.3396; 21.7131; 9.201
90; 106.683; 90
1595.97Yepes, Andrés F.; Jaimes, Ederson; Bahsas, Ali; Palma, Alirio; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher
Ring conformations and intermolecular interactions in two fused dibenzoazocines
Acta Crystallographica Section C, 2010, 66, o284-o288
2017676 CIF
HKL
Paper
C23 H23 N OP 1 21/c 118.9549; 9.8917; 9.4354
90; 97.348; 90
1754.57Yepes, Andrés F.; Jaimes, Ederson; Bahsas, Ali; Palma, Alirio; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher
Ring conformations and intermolecular interactions in two fused dibenzoazocines
Acta Crystallographica Section C, 2010, 66, o284-o288
2017677 CIF
HKL
Paper
C27 H17 N3 O2P 1 21/c 115.436; 13.622; 9.359
90; 105; 90
1900.9Díaz, Yurina; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher
Two similarly substituted benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline-5,6(10<i>H</i>)-diones: supramolecular structures in two and three dimensions
Acta Crystallographica Section C, 2010, 66, o305-o309
2017678 CIF
HKL
Paper
C28 H19 N3 O2P -18.9952; 9.6201; 12.537
98.72; 103.31; 95.48
1033.9Díaz, Yurina; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher
Two similarly substituted benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline-5,6(10<i>H</i>)-diones: supramolecular structures in two and three dimensions
Acta Crystallographica Section C, 2010, 66, o305-o309
2017679 CIF
HKL
Paper
C20 H17 N3P 1 21/c 113.2312; 10.4394; 11.7282
90; 95.518; 90
1612.46Barceló-Oliver, Miquel; Terrón, Angel; García-Raso, Angel; Lah, Nina; Turel, Iztok
Intermolecular C—H···π interactions in 1,5-diphenyl-3-(2-pyridyl)-2-pyrazoline
Acta Crystallographica Section C, 2010, 66, o313-o316
2017680 CIF
HKL
Paper
C33 H79 Au4 K4 N6 Ni2 O25 S6P 1 21 19.9638; 22.644; 14.723
90; 97.998; 90
3289.5Hashimoto, Yuji; Taguchi, Mai; Yoshinari, Nobuto; Konno, Takumi
Tetrapotassium [μ~2~-<i>N</i>-carboxylato-<small>D</small>-penicillaminato(3‒)-5:6κ^2^<i>S</i>:<i>S</i>][μ~2~-<small>D</small>-penicillaminato(1‒)-2:3κ^2^<i>S</i>:<i>S</i>]tetrakis[μ~2~-<small>D</small>-penicillaminato(2‒)]-1:2κ^3^<i>N</i>,<i>S</i>:<i>S</i>;1:6κ^3^<i>N</i>,<i>S</i>:<i>S</i>;3:4κ^3^<i>S</i>:<i>N</i>,<i>S</i>;4:5κ^3^<i>N</i>,<i>S</i>:<i>S</i>-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate
Acta Crystallographica Section C, 2010, 66, m160-m162
2017681 CIF
HKL
Paper
C4 H7 N O6P 1 21/c 111.8719; 6.1493; 20.8247
90; 121.18; 90
1300.67Tumanov, Nikolay A.; Boldyreva, Elena V.; Shikina, Natalia E.
Two new structures in the glycine‒oxalic acid system
Acta Crystallographica Section C, 2010, 66, o279-o283
2017682 CIF
HKL
Paper
C8 H20 N2 O10P 1 21/c 15.0068; 11.3293; 12.893
90; 106.077; 90
702.73Tumanov, Nikolay A.; Boldyreva, Elena V.; Shikina, Natalia E.
Two new structures in the glycine‒oxalic acid system
Acta Crystallographica Section C, 2010, 66, o279-o283
2017683 CIF
HKL
Paper
C6 H3 B3 F9 K3P -17.4025; 8.9349; 11.16
68.66; 74.28; 71.14
640.7Franz, Daniel; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael
The twinned crystal structure of tripotassium benzene-1,3,5-tris(trifluoroborate)
Acta Crystallographica Section C, 2010, 66, m152-m156
2017684 CIF
HKL
Paper
C6 H14 N2 OP 3111.03798; 11.03798; 15.266
90; 90; 120
1610.78Wicher, Barbara; Gdaniec, Maria
Polymorphs of DABCO monohydrate as structural analogues of NaCl
Acta Crystallographica Section C, 2010, 66, o270-o273
2017685 CIF
HKL
Paper
C17 H19 F N2 O2P 21 21 215.1127; 17.8516; 17.8746
90; 90; 90
1631.4Ravikumar, Krishnan; Sridhar, Balasubramanian
Two polymorphs of safinamide, a selective and reversible inhibitor of monoamine oxidase B
Acta Crystallographica Section C, 2010, 66, o317-o320
2017686 CIF
HKL
Paper
C17 H19 F N2 O2P 21 21 216.6297; 8.1015; 29.268
90; 90; 90
1572Ravikumar, Krishnan; Sridhar, Balasubramanian
Two polymorphs of safinamide, a selective and reversible inhibitor of monoamine oxidase B
Acta Crystallographica Section C, 2010, 66, o317-o320
2017687 CIF
HKL
Paper
C6 H4 Cr Cs3 O14P -18.2299; 10.2956; 10.9902
63.662; 89.775; 77.221
809.14Martin, Lee; Christian, Anthony; Akutsu, Hiroki
Tricaesium tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)chromate(III) dihydrate
Acta Crystallographica Section C, 2010, 66, m157-m159
2017688 CIF
HKL
Paper
C40 H34 N12 O9 Zn2P b c a13.875; 13.142; 22.166
90; 90; 90
4041.9Duan, Li; Wu, Xiang-Wen; Ma, Jian-Ping; Dong, Yu-Bin
Poly[[{μ~4~-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoato}zinc(II)] hemihydrate]: a novel two-dimensional framework formed by self-association of zinc(II) sulfate with 3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoic acid
Acta Crystallographica Section C, 2010, 66, m149-m151
2017689 CIF
HKL
Paper
C22 H18 Cl2 Co N6 OP -17.313; 11.056; 14.572
74.376; 79.57; 87.592
1115.9Wu, Yan; Hou, Gui-Ge; Ma, Jian-Ping; Dong, Yu-Bin
A novel 18-membered metallocycle in {2,5-bis[3-(1<i>H</i>-1,3-imidazol-1-ylmethyl)phenyl]-1,3,4-oxadiazole}dichloridocobalt(II)
Acta Crystallographica Section C, 2010, 66, m163-m165
2017690 CIF
HKL
Paper
H5 O6.5 Se VC 1 2/c 118.7819; 6.2881; 10.5581
90; 116.443; 90
1116.48Harrison, William T. A.
[VO(SeO~3~)(H~2~O)~2~]·0.5H~2~O
Acta Crystallographica Section C, 2010, 66, i61-i63
2017691 CIF
HKL
Paper
C11 H21 N2 O5 PP 1 21 17.235; 10.823; 9.545
90; 98.78; 90
738.7Arfaoui, Youssef; Kouass, Salah; Salah, Nesrine; Ben Akacha, Azaiez; Guesmi, Abderrahmen
Ethyl 3-[1-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorin-2-yl)propan-2-ylidene]carbazate: a combined X-ray and density functional theory (DFT) study
Acta Crystallographica Section C, 2010, 66, o353-o355
2017692 CIF
HKL
Paper
C14 H17 Cl2 N3 OP 1 21/c 17.6715; 16.0963; 12.0406
90; 91.666; 90
1486.18Heilmann-Brohl, Julia; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael
Structural comparison of three <i>N</i>-(4-halogenophenyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides
Acta Crystallographica Section C, 2010, 66, o364-o368
2017693 CIF
HKL
Paper
C13 H13 Cl F N3P 1 21/n 16.8522; 11.5134; 15.856
90; 90.048; 90
1250.9Heilmann-Brohl, Julia; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael
Structural comparison of three <i>N</i>-(4-halogenophenyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides
Acta Crystallographica Section C, 2010, 66, o364-o368
2017694 CIF
HKL
Paper
C15 H21 Cl F N3 O2P -17.0088; 11.7258; 21.843
96.321; 92.066; 107.247
1699.5Heilmann-Brohl, Julia; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael
Structural comparison of three <i>N</i>-(4-halogenophenyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides
Acta Crystallographica Section C, 2010, 66, o364-o368
2017695 CIF
HKL
Paper
C24 H26 Cl Cr N3 O2 RhP 1 21/c 112.614; 15.1085; 12.6704
90; 107.259; 90
2306Vibenholt, Johan; Magnussen, Magnus; Anthon, Christian; Bendix, Jesper
Synthesis and molecular structure of Cr(salen)(μ-N)RhCl(COD): the first example of a heterobimetallic nitride-bridged complex containing chromium
Acta Crystallographica Section C, 2010, 66, m177-m179
2017696 CIF
HKL
Paper
C24 H16 N2 O2P 1 21/c 19.1393; 5.2461; 19.204
90; 91.807; 90
920.3Schindler, Diana; Felsmann, Marika; Weber, Edwin
Influence of 1,4-dioxane solvent inclusion on the crystal structure of 5,5'-diphenyl-2,2'-(<i>p</i>-phenylene)di-1,3-oxazole (POPOP)
Acta Crystallographica Section C, 2010, 66, o361-o363
2017697 CIF
HKL
Paper
C32 H32 N2 O6P 1 21/n 112.2424; 5.9115; 18.5046
90; 97.977; 90
1326.24Schindler, Diana; Felsmann, Marika; Weber, Edwin
Influence of 1,4-dioxane solvent inclusion on the crystal structure of 5,5'-diphenyl-2,2'-(<i>p</i>-phenylene)di-1,3-oxazole (POPOP)
Acta Crystallographica Section C, 2010, 66, o361-o363
2017698 CIF
Paper
C12 H13 N5 O4P 1 21/c 17.0743; 23.4468; 8.1134
90; 107.063; 90
1286.53Thanigaimani, Kaliyaperumal; Devi, Periasamy; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.
Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate
Acta Crystallographica Section C, 2010, 66, o324-o328
2017699 CIF
HKL
Paper
C8 H11 N5 O4P -17.1921; 8.2359; 9.4775
98.287; 104.656; 91.032
536.58Thanigaimani, Kaliyaperumal; Devi, Periasamy; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.
Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate
Acta Crystallographica Section C, 2010, 66, o324-o328
2017700 CIF
HKL
Paper
C10 H14 N6 O4P 1 21/c 17.0397; 24.68; 7.5047
90; 94.462; 90
1299.9Thanigaimani, Kaliyaperumal; Devi, Periasamy; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.
Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate
Acta Crystallographica Section C, 2010, 66, o324-o328
2017701 CIF
HKL
Paper
H8 N2 O8 Te2 WP 1 21 16.443; 6.883; 9.301
90; 98.8; 90
407.6Grzechnik, A.; Halasyamani, P. S.; Kim, J.-H.; Friese, K.
(NH~4~)~2~WTe~2~O~8~ at 5.09GPa: a single-crystal study using synchrotron radiation
Acta Crystallographica Section C, 2010, 66, i79-i81
2017702 CIF
HKL
Paper
C16 H17 N3 O6P 16.171; 7.4134; 18.2438
91.754; 91.308; 108.135
792.33Smith, Graham; Wermuth, Urs D.; Young, David J.
Phenyl-ring rotational disorder in the two-dimensional hydrogen-bonded structure of the 1:1 proton-transfer salt of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with <small>L</small>-tartaric acid
Acta Crystallographica Section C, 2010, 66, o345-o348
2017703 CIF
HKL
Paper
C50 H72 Cd N14 O4 S2P 1 21/c 16.8689; 20.3896; 18.333
90; 99.242; 90
2534.3Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.
Cadmium(II) thio- and selenocyanate complexes of 3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane, a ligand designed with an `extended nanodiamond' aliphatic platform
Acta Crystallographica Section C, 2010, 66, m180-m183
2017704 CIF
HKL
Paper
C50 H72 Cd N14 O4 Se2P 1 21/c 16.9147; 20.4704; 18.419
90; 100.168; 90
2566.2Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.
Cadmium(II) thio- and selenocyanate complexes of 3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane, a ligand designed with an `extended nanodiamond' aliphatic platform
Acta Crystallographica Section C, 2010, 66, m180-m183
2017705 CIF
HKL
Paper
C18 H12 Br3 Cl6 N SbP b c n17.4052; 16.4768; 16.7408
90; 90; 90
4801Quiroz-Guzman, Mauricio; Brown, Seth N.
Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization
Acta Crystallographica Section C, 2010, 66, m171-m173
2017706 CIF
HKL
Paper
C18 H12 Br3 NP 1 21/c 19.397; 16.0352; 11.3688
90; 107.534; 90
1633.5Quiroz-Guzman, Mauricio; Brown, Seth N.
Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization
Acta Crystallographica Section C, 2010, 66, m171-m173
2017707 CIF
HKL
Paper
C13 H12 N4 O7P 1 21/c 111.6501; 16.4813; 7.5754
90; 94.269; 90
1450.51Meng, Gao-Xiang; Yang, He-Lin; Cheng, Cui-Xia; Huang, Xin-Tang
Two-dimensional networks in 2-methylanilinium picrate and 2,5-dichloroanilinium picrate
Acta Crystallographica Section C, 2010, 66, o337-o340
2017708 CIF
HKL
Paper
C12 H8 Cl2 N4 O7C 1 c 14.3288; 23.372; 15.292
90; 94.606; 90
1542.1Meng, Gao-Xiang; Yang, He-Lin; Cheng, Cui-Xia; Huang, Xin-Tang
Two-dimensional networks in 2-methylanilinium picrate and 2,5-dichloroanilinium picrate
Acta Crystallographica Section C, 2010, 66, o337-o340
2017709 CIF
HKL
Paper
C14 H19 Cl2 N O4P 1 21/c 17.3206; 11.2201; 19.4813
90; 98.576; 90
1582.3Smith, Graham; Wermuth, Urs D.
Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine
Acta Crystallographica Section C, 2010, 66, o374-o380
2017710 CIF
HKL
Paper
C12 H15 Cl2 N O4P 1 21/c 18.9588; 9.9042; 17.062
90; 104.58; 90
1465.2Smith, Graham; Wermuth, Urs D.
Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine
Acta Crystallographica Section C, 2010, 66, o374-o380
2017711 CIF
HKL
Paper
C16 H28 Cl2 N2 O5P -18.1362; 9.3043; 15.406
78.678; 85.846; 67.777
1058.62Smith, Graham; Wermuth, Urs D.
Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine
Acta Crystallographica Section C, 2010, 66, o374-o380
2017712 CIF
HKL
Paper
C18 H28 Cl2 N2 O5P 1 21/c 113.8481; 10.5937; 14.6129
90; 99.903; 90
2111.8Smith, Graham; Wermuth, Urs D.
Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine
Acta Crystallographica Section C, 2010, 66, o374-o380
2017713 CIF
HKL
Paper
C49 H62 Cl6 O4C 1 2/c 128.8774; 16.8275; 23.3186
90; 120.068; 90
9806.5Gruber, Tobias; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin
25-Allyloxy-5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxycalix[4]arene chloroform disolvate
Acta Crystallographica Section C, 2010, 66, o334-o336
2017714 CIF
HKL
Paper
C24 H21 F2 N O3P 21 21 215.94606; 15.8898; 21.3765
90; 90; 90
2019.69Brüning, Jürgen; Alig, Edith; Schmidt, Martin U.
Ezetimibe anhydrate, determined from laboratory powder diffraction data
Acta Crystallographica Section C, 2010, 66, o341-o344
2017715 CIF
HKL
Paper
C10 H21.188 N3 O5.094P 21 21 214.7855; 18.2887; 31.247
90; 90; 90
2734.8Görbitz, Carl Henrik; Backe, Paul Hoff
<small>L</small>-Isoleucyl-<small>L</small>-asparagine 1.094-hydrate: a hybrid hydrogen-bonding pattern
Acta Crystallographica Section C, 2010, 66, o349-o352
2017716 CIF
HKL
Paper
C7 H14 O6C 1 2 114.999; 5.4114; 10.8287
90; 99.477; 90
866.92Allscher, Thorsten; Klüfers, Peter
Methyl β-<small>D</small>-fructopyranoside
Acta Crystallographica Section C, 2010, 66, o321-o323
2017717 CIF
HKL
Paper
Cs6 Nb4 Se22P 1 21/c 112.5887; 8.5127; 20.3151
90; 103.853; 90
2113.72Krizan, Jason W.; Pulido, Sergio H.; Wehrhan, Sarah E.; Chan, Benny C.
Cs~6~Nb~4~Se~22~ and K~12~Nb~6~Se~35.3~: two new compounds containing the <i>M</i>~4~<i>Q</i>~22~ building block
Acta Crystallographica Section C, 2010, 66, i75-i78
2017718 CIF
HKL
Paper
K12 Nb6 Se35.3P b c n8.329; 13.2559; 55.974
90; 90; 90
6180Krizan, Jason W.; Pulido, Sergio H.; Wehrhan, Sarah E.; Chan, Benny C.
Cs~6~Nb~4~Se~22~ and K~12~Nb~6~Se~35.3~: two new compounds containing the <i>M</i>~4~<i>Q</i>~22~ building block
Acta Crystallographica Section C, 2010, 66, i75-i78
2017719 CIF
HKL
Paper
As3 K2 O12 Sc SnP 21 310.3927; 10.3927; 10.3927
90; 90; 90
1122.5Harrison, William T. A.
K~2~ScSn(AsO~4~)~3~: an arsenate-containing langbeinite
Acta Crystallographica Section C, 2010, 66, i82-i84
2017720 CIF
HKL
Paper
C17 H9 Br2 Cl N2 OP -17.5759; 8.4629; 13.1534
103.082; 94.473; 104.401
787.52Abboud, Mohamed; Kadimi, Amal; Mamane, Victor; Aubert, Emmanuel
Conformational disorder in 4-(5,5'-dibromo-2'-chloro-4,4'-bipyridyl-2-yl)benzaldehyde: role of π‒π and halogen interactions
Acta Crystallographica Section C, 2010, 66, o381-o384
2017721 CIF
HKL
Paper
C8 H12 N3 O3.5 SP 1 21 111.5729; 11.2385; 16.0232
90; 94.329; 90
2078.06Bhattacharya, Abir; Roy, Bhairab Nath; Singh, Girij Pal; Srivastava, Dhananjai; Mukherjee, Alok K.
Lamivudine hemihydrate
Acta Crystallographica Section C, 2010, 66, o329-o333
2017722 CIF
HKL
Paper
C14 H16 Ag2 N6 O8P -17.1361; 7.407; 9.9686
87.064; 79.17; 62.077
456.86Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun
Diamminesilver(I) bis(2-amino-5-nitrobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)silver(I): a two-dimensional supramolecular sheet with a short intersheet distance containing a rare four-coordinate planar silver(I) centre
Acta Crystallographica Section C, 2010, 66, m174-m176
2017723 CIF
HKL
Paper
C9 H17 Cl N2 TiP 1 21/n 19.3621; 11.0618; 11.5907
90; 104.259; 90
1163.37Chapin, Brette M.; Hughs, Lauren D.; Golen, James A.; Rheingold, Arnold L.; Johnson, Adam R.
Chlorido(η^5^-cyclopentadienyl)bis(dimethylamido)titanium, [TiCl(η^5^-C~5~H~5~)(NMe~2~)~2~]
Acta Crystallographica Section C, 2010, 66, m191-m193
2017724 CIF
HKL
Paper
C10 H15 N3 O2P 1 21/c 17.8148; 20.9889; 13.2464
90; 91.21; 90
2172.2Payne, Thomas J.; Thurman, Chad R.; Yu, Hao; Sun, Qian; Mohanty, Dillip K.; Squattrito, Philip J.; Giolando, Mark-Robin; Brue, Christopher R.; Kirschbaum, Kristin
<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone
Acta Crystallographica Section C, 2010, 66, o369-o373
2017725 CIF
HKL
Paper
C11 H14 N4 O2P 1 21/c 110.988; 4.865; 21.22
90; 91.62; 90
1133.9Payne, Thomas J.; Thurman, Chad R.; Yu, Hao; Sun, Qian; Mohanty, Dillip K.; Squattrito, Philip J.; Giolando, Mark-Robin; Brue, Christopher R.; Kirschbaum, Kristin
<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone
Acta Crystallographica Section C, 2010, 66, o369-o373
2017726 CIF
HKL
Paper
C16 H18 N4 O6 SP 1 21/c 115.514; 8.573; 15.012
90; 115.647; 90
1799.9Payne, Thomas J.; Thurman, Chad R.; Yu, Hao; Sun, Qian; Mohanty, Dillip K.; Squattrito, Philip J.; Giolando, Mark-Robin; Brue, Christopher R.; Kirschbaum, Kristin
<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone
Acta Crystallographica Section C, 2010, 66, o369-o373
2017727 CIF
HKL
Paper
Cs3 In3 O16 P4C 1 2/c 116.437; 10.0498; 9.9473
90; 91.485; 90
1642.63Zatovsky, Igor V.; Baumer, Vyacheslav N.; Strutynska, Nataliya Yu.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.
A novel In~3~O~16~ fragment in Cs~3~In~3~(PO~4~)~4~
Acta Crystallographica Section C, 2010, 66, i71-i74
2017728 CIF
HKL
Paper
C10 H16 Ca Cu O10P -19.0113; 9.6052; 9.6248
79.95; 72.14; 71.4
748.8Guo, Ming-Lin; Wang, Feng-Qin
Poly[diaquabis(μ~3~-2,2-dimethylpropanedioato)calcium(II)copper(II)]
Acta Crystallographica Section C, 2010, 66, m184-m187
2017729 CIF
HKL
Paper
C15 H36 Cl4 N2 O6 ZnP 21 21 219.134; 9.862; 27.81
90; 90; 90
2505.1Zhao, Min Min; Qu, Zhi Rong
Propane-1,3-diaminium tetrachloridozincate(II) 18-crown-6 clathrate
Acta Crystallographica Section C, 2010, 66, m188-m190
2017730 CIF
HKL
Paper
C8 H10 O4 SrP 1 21/c 113.3937; 7.0389; 9.971
90; 107.555; 90
896.26Robertson, Karen A.; Harrison, William T. A.
Poly[(μ~6~-<i>rac</i>-<i>cis</i>-cyclohexane-1,2-dicarboxylato)strontium]
Acta Crystallographica Section C, 2010, 66, m194-m196
2017731 CIF
HKL
Paper
C10 H6 F4 N2 O2P -13.6671; 7.585; 9.582
88.14; 85.67; 77.41
259.34Czapik, Agnieszka; Gdaniec, Maria
Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds
Acta Crystallographica Section C, 2010, 66, o356-o360
2017732 CIF
HKL
Paper
C14 H8 F4 N2 O2P 21 21 217.2094; 7.429; 23.585
90; 90; 90
1263.2Czapik, Agnieszka; Gdaniec, Maria
Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds
Acta Crystallographica Section C, 2010, 66, o356-o360
2017733 CIF
HKL
Paper
C30 H18 F4 N4 O2P 1 21/n 19.1482; 11.0393; 12.4185
90; 102.585; 90
1224.01Czapik, Agnieszka; Gdaniec, Maria
Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds
Acta Crystallographica Section C, 2010, 66, o356-o360
2017734 CIF
HKL
Paper
C46 H36 Cu4 N20 O22 S4P -110.5528; 10.9391; 13.1938
102.367; 98.134; 105.059
1404.91Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Jiang, Fu-Bin
[μ~3~-<i>cis</i>-<i>N</i>-(2-Aminoethyl)-<i>N</i>'-(2-carboxylatophenyl)oxamidato(3{-})]bis(2,2'-diamino-4,4'-bi-1,3-thiazole)tetracopper(II) bis(2,4,6-trinitrophenolate)
Acta Crystallographica Section C, 2010, 66, m218-m221
2017735 CIF
HKL
Paper
C50 H42 F8 N4P 1 21/n 14.7936; 23.483; 17.628
90; 91.824; 90
1983.3Marushima, Yuta; Uchiumi, Yuri; Ogu, Kenichi; Hori, Akiko
Intermolecular π-stacking and F···F interactions of fluorine-substituted <i>meso</i>-alkynylporphyrin
Acta Crystallographica Section C, 2010, 66, o406-o409
2017736 CIF
HKL
Paper
C50 H50 N4C 1 2/c 133.613; 5.2845; 23.152
90; 111.252; 90
3832.8Marushima, Yuta; Uchiumi, Yuri; Ogu, Kenichi; Hori, Akiko
Intermolecular π-stacking and F···F interactions of fluorine-substituted <i>meso</i>-alkynylporphyrin
Acta Crystallographica Section C, 2010, 66, o406-o409
2017737 CIF
HKL
Paper
C26 H45 B N6 ZnP 1 21/c 130.803; 9.796; 19.157
90; 107.174; 90
5523Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias
Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)
Acta Crystallographica Section C, 2010, 66, m197-m200
2017738 CIF
HKL
Paper
C26 H45 B N6 ZnP 1 21/c 130.83; 9.8047; 19.17
90; 107.211; 90
5535.2Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias
Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)
Acta Crystallographica Section C, 2010, 66, m197-m200
2017739 CIF
HKL
Paper
C26 H45 B N6 ZnP 1 21/c 130.83; 9.8047; 19.17
90; 107.211; 90
5535.2Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias
Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)
Acta Crystallographica Section C, 2010, 66, m197-m200
2017740 CIF
HKL
Paper
C6 H10 O5P 21 21 217.94437; 11.71472; 16.82348
90; 90; 90
1565.7Lutz, Martin; van Krieken, Jan
(<i>S</i>,<i>S</i>)-Lactoyllactic acid and (<i>S</i>,<i>S</i>,<i>S</i>)-lactoyllactoyllactic acid
Acta Crystallographica Section C, 2010, 66, o401-o405
2017741 CIF
HKL
Paper
C9 H14 O7C 1 2 117.3594; 5.62712; 13.9888
90; 123.861; 90
1134.71Lutz, Martin; van Krieken, Jan
(<i>S</i>,<i>S</i>)-Lactoyllactic acid and (<i>S</i>,<i>S</i>,<i>S</i>)-lactoyllactoyllactic acid
Acta Crystallographica Section C, 2010, 66, o401-o405
2017742 CIF
HKL
Paper
C4 H14 N2 O4P 1 21/n 14.7106; 22.8634; 7.2804
90; 98.154; 90
776.17Wiklund, Tove; McKenzie, Christine J.; Lennartson, Anders
Graphene-like nets of hydrogen-bonded water molecules in the dihydrate of 2-[(2-ammonioethyl)amino]acetate and the structure of its anhydrous hydroiodide salt
Acta Crystallographica Section C, 2010, 66, o410-o413
2017743 CIF
HKL
Paper
C4 H11 I N2 O2P 1 21/n 15.7129; 12.4269; 11.656
90; 98.542; 90
818.32Wiklund, Tove; McKenzie, Christine J.; Lennartson, Anders
Graphene-like nets of hydrogen-bonded water molecules in the dihydrate of 2-[(2-ammonioethyl)amino]acetate and the structure of its anhydrous hydroiodide salt
Acta Crystallographica Section C, 2010, 66, o410-o413
2017744 CIF
HKL
Paper
C12 H18 O8 UC 1 2/c 124.254; 6.7855; 20.2586
90; 116.549; 90
2982.5Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.
A new adamantanecarboxylate coordination polymer: poly[[(μ~3~-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate]
Acta Crystallographica Section C, 2010, 66, m207-m210
2017745 CIF
HKL
Paper
C16 H18 N4 O6P -15.0872; 11.5569; 14.2784
77.433; 86.726; 89.418
818.01Thompson, Laura J.; Voguri, Raja S.; Cowell, Adam; Male, Louise; Tremayne, Maryjane
The cocrystal nicotinamide‒succinic acid (2/1)
Acta Crystallographica Section C, 2010, 66, o421-o424
2017746 CIF
HKL
Paper
C7 H8 N2 O4 SP 1 21/n 16.3372; 22.4153; 6.8618
90; 111.112; 90
909.3John, Jain; Balasubramanian, T.
<i>Z</i> and <i>E</i> isomers of butenedioic acid with 2-amino-1,3-thiazole: 2-amino-1,3-thiazolium hydrogen maleate and 2-amino-1,3-thiazolium hydrogen fumarate
Acta Crystallographica Section C, 2010, 66, o436-o440
2017747 CIF
HKL
Paper
C7 H8 N2 O4 SP b c a20.7129; 7.1803; 37.4469
90; 90; 90
5569.3John, Jain; Balasubramanian, T.
<i>Z</i> and <i>E</i> isomers of butenedioic acid with 2-amino-1,3-thiazole: 2-amino-1,3-thiazolium hydrogen maleate and 2-amino-1,3-thiazolium hydrogen fumarate
Acta Crystallographica Section C, 2010, 66, o436-o440
2017748 CIF
HKL
Paper
C64 H112 Mn2 N4 Na2 O4 Si4P b c n25.209; 17.6946; 15.5541
90; 90; 90
6938.1Blake, Alexander J.; Harris, Naomi A.; Kays, Deborah L.; Lewis, William; Moxey, Graeme J.
Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di-μ~3~-oxido-dimanganese(III)disodium
Acta Crystallographica Section C, 2010, 66, m204-m206
2017749 CIF
HKL
Paper
C38 H33 N O SP 1 21/c 116.139; 10.145; 17.453
90; 92.046; 90
2855.8Sakthivel, Chinniah; Jeyaraman, Ramasubbu
Forced twin-chair conformation in 7-benzoyl- and 7-phenylacetyl-<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8-tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonanes with 1,3-diaxial phenyl groups in the piperidine ring: single- and double-layered supramolecular sheets built from C—H···O and C—H···π(arene) hydrogen bonds
Acta Crystallographica Section C, 2010, 66, o396-o400
2017750 CIF
HKL
Paper
C39 H35 N O SP 1 21/c 116.8724; 9.4863; 19.2376
90; 93.245; 90
3074.2Sakthivel, Chinniah; Jeyaraman, Ramasubbu
Forced twin-chair conformation in 7-benzoyl- and 7-phenylacetyl-<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8-tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonanes with 1,3-diaxial phenyl groups in the piperidine ring: single- and double-layered supramolecular sheets built from C—H···O and C—H···π(arene) hydrogen bonds
Acta Crystallographica Section C, 2010, 66, o396-o400
2017751 CIF
HKL
Paper
C18 H34 B N O2 SiP 21 21 217.8078; 11.2328; 23.639
90; 90; 90
2073.2Gainsford, Graeme J.; Luxenburger, Andreas; Woolhouse, Anthony D.
(1<i>R</i>,3<i>R</i>,4<i>S</i>)-1-Benzyl-3-(<i>tert</i>-butyldimethylsilyloxy)-4-(hydroxymethyl)pyrrolidine‒borane: novel B—H···H—O hydrogen bonding
Acta Crystallographica Section C, 2010, 66, o418-o420
2017752 CIF
HKL
Paper
C40 H32 Dy2 N16 O26P -17.7897; 12.2577; 17.2316
70.1447; 89.341; 75.3827
1492.45Lipstman, Sophia; Goldberg, Israel
Coordination and hydrogen-bonding assemblies in hybrid reaction products between 5,10,15,20-tetra-4-pyridylporphyrin and dysprosium trinitrate hexahydrate
Acta Crystallographica Section C, 2010, 66, m222-m226
2017753 CIF
HKL
Paper
C44 H56 Dy N15 O30P -112.8961; 12.9222; 18.5978
71.6843; 80.9684; 73.3707
2811.52Lipstman, Sophia; Goldberg, Israel
Coordination and hydrogen-bonding assemblies in hybrid reaction products between 5,10,15,20-tetra-4-pyridylporphyrin and dysprosium trinitrate hexahydrate
Acta Crystallographica Section C, 2010, 66, m222-m226
2017754 CIF
HKL
Paper
C22 H18 N4 O8P 1 21/c 110.5167; 5.9729; 18.2602
90; 105.7; 90
1104.2Moreno-Fuquen, Rodolfo; Theodoro, Jahyr; Ellena, Javier; Montaño-A., Angela Marcela; Atencio, Reynaldo
3-Nitrophenol‒4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide (2/1): a DFT study and CSD analysis of DPNO molecular complexes
Acta Crystallographica Section C, 2010, 66, o425-o428
2017755 CIF
HKL
Paper
C80 H74 Cl4 N6 O8 S24P -111.322; 12.9538; 17.659
71.165; 84.364; 71.257
2321.2Kaboub, Lakhemici; Fabre, Jean-Marc; Vendier, Laure; Legros, Jean-Pierre
Donor‒acceptor complex of a new bis-TTF donor containing a pyridine diester spacer with TCNQ as the acceptor: a disappointing system
Acta Crystallographica Section C, 2010, 66, o429-o432
2017756 CIF
HKL
Paper
C32 H62 Cl4 N2 O7 ZnP b c n26.9702; 11.4912; 24.9646
90; 90; 90
7737Zhao, Min Min; Qu, Zhi Rong
Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate
Acta Crystallographica Section C, 2010, 66, m215-m217
2017757 CIF
HKL
Paper
C14 H16 Cu5 I6 PA m a 218.211; 23.6861; 5.8206
90; 90; 90
2510.7Jalilian, Ehsan; Lidin, Sven
Poly[dimethyldiphenylphosphonium [di-μ~4~-iodido-tetra-μ~3~-iodido-pentacopper(I)]]
Acta Crystallographica Section C, 2010, 66, m227-m230
2017758 CIF
HKL
Paper
C10 H12 N4 O4P 1 21/n 17.5314; 18.271; 8.4249
90; 104.374; 90
1123.03Sridhar, Balasubramanian; Ravikumar, Krishnan
Supramolecular hydrogen-bonded networks in cytosinium nicotinate monohydrate and cytosinium isonicotinate cytosine dihydrate
Acta Crystallographica Section C, 2010, 66, o414-o417
2017759 CIF
HKL
Paper
C14 H19 N7 O6P -17.1852; 7.3627; 17.7387
99.831; 92.928; 107.862
874.7Sridhar, Balasubramanian; Ravikumar, Krishnan
Supramolecular hydrogen-bonded networks in cytosinium nicotinate monohydrate and cytosinium isonicotinate cytosine dihydrate
Acta Crystallographica Section C, 2010, 66, o414-o417
2017760 CIF
HKL
Paper
C11 H9 F N2 OP 1 21/n 113.907; 5.0357; 14.233
90; 108.946; 90
942.8Langer, 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

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