Crystallography Open Database

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2020309 CIF
HKL
Paper
C24 H16 Cl2 Co N4P 1 21/c 110.2035; 16.6206; 14.4854
90; 122.76; 90
2065.8Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan
Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization
Acta Crystallographica Section C, 2016, 72, 6-13
2020310 CIF
HKL
Paper
C27 H23 Cl2 Co N5 OP 1 21/c 116.092; 11.1929; 14.1149
90; 94.487; 90
2534.5Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan
Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization
Acta Crystallographica Section C, 2016, 72, 6-13
2020311 CIF
HKL
C8 H7 N O TeP -16.5667; 7.892; 17.2051
87.291; 86.833; 65.99
812.95Myers, Joshua P.; Fronczek, Frank R.; Junk, Thomas
The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2<i>H</i>-1,4-benzotellurazin-3(4<i>H</i>)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5<i>H</i>)-one
Acta Crystallographica Section C, 2016, 72, 1-5
2020312 CIF
HKL
C9 H9 N O TeP 1 21/c 17.7404; 9.6523; 24.4699
90; 96; 90
1818.2Myers, Joshua P.; Fronczek, Frank R.; Junk, Thomas
The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2<i>H</i>-1,4-benzotellurazin-3(4<i>H</i>)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5<i>H</i>)-one
Acta Crystallographica Section C, 2016, 72, 1-5
2020313 CIF
HKL
Paper
C20 H34 O8P 21 21 217.224; 12.935; 22.0691
90; 90; 90
2062.2Pullela, Srinivas Venkata; Acharya, Vinod; Reddy, Nagarjuna; Harlikar, Jayvant; Kulkarni, Amar; Chavan, Rakesh; Yadav, Ajay; Manna, Shuvendu; Ghosh, Angshuman
Structural corroboration of two important building blocks of the anticancer drug eribulin mesylate through two-dimensional NMR and single-crystal X-ray diffraction studies
Acta Crystallographica Section C, 2016, 72, 14-20
2020314 CIF
HKL
Paper
C17 H24 O6 SP 21 21 217.593; 8.542; 26.7
90; 90; 90
1732Pullela, Srinivas Venkata; Acharya, Vinod; Reddy, Nagarjuna; Harlikar, Jayvant; Kulkarni, Amar; Chavan, Rakesh; Yadav, Ajay; Manna, Shuvendu; Ghosh, Angshuman
Structural corroboration of two important building blocks of the anticancer drug eribulin mesylate through two-dimensional NMR and single-crystal X-ray diffraction studies
Acta Crystallographica Section C, 2016, 72, 14-20
2020315 CIF
HKL
Paper
C10 H13 Co Cu N8 OP b c m7.2703; 14.6512; 13.8246
90; 90; 90
1472.58Qin, Ying-Lian; Yao, Chen-Zhong; Yang, Bin-Wu; Qin, Jian-Fang; Gong, Qiao-Juan
Synthesis, crystal structure and magnetic properties of a two-dimensional cyanide-based heterometallic coordination polymer with cationic piperazinium ligands: poly[aquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-(piperazinium-κ<i>N</i>^4^)cobalt(III)copper(II)]
Acta Crystallographica Section C, 2016, 72, 21-27
2020317 CIF
HKL
Paper
C10 H26 N2 Na O14 PP 1 21 111.307; 6.17; 14.678
90; 111.06; 90
955.6Ślepokura, Katarzyna Anna
3':5'-Cyclic nucleotides: two sodium salts of cdTMP
Acta Crystallographica Section C, 2016, 72, 35-47
2020318 CIF
HKL
C10 H19.4 N2 Na O10.7 PC 1 2 132.936; 19.718; 21.569
90; 112.18; 90
12971Ślepokura, Katarzyna Anna
3':5'-Cyclic nucleotides: two sodium salts of cdTMP
Acta Crystallographica Section C, 2016, 72, 35-47
2020319 CIF
HKL
Paper
C12 H42 Cl4 Ge N6 O12P -18.5247; 10.9152; 15.1592
82.98; 79.248; 70.022
1299.78Neis, Christian; Morgenstern, Bernd; Hegetschweiler, Kaspar
Hydrogen-bonding patterns in bis[2,4,6-triazaniumylcyclohexane-1,3,5-tris(olate)-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']germanium(IV) tetrachloride hexahydrate
Acta Crystallographica Section C, 2016, 72, 28-34
2020320 CIF
HKL
Paper
C15 H14 Cl N3P 1 21/c 16.625; 22.4796; 8.6355
90; 100.61; 90
1264.07Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Similar molecular constitutions but different conformations and different supramolecular assemblies in two related fused tetracyclic benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine derivatives
Acta Crystallographica Section C, 2016, 72, 52-56
2020321 CIF
HKL
Paper
C16 H16 Cl N3P -18.184; 9.5399; 10.2185
104.471; 101.049; 111.324
683.4Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Similar molecular constitutions but different conformations and different supramolecular assemblies in two related fused tetracyclic benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine derivatives
Acta Crystallographica Section C, 2016, 72, 52-56
2020322 CIF
HKL
Paper
C7 H7 Cl2 Cu3 N2 O2P 1 21/n 114.4127; 10.8942; 20.2348
90; 104.84; 90
3071.2Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A.
An unusual coordination polymer containing Cu^+^ ions and featuring possible Cu···Cu `cuprophilic' interactions: poly[di-μ-chlorido-(μ~4~-3,5-diaminobenzoato-κ^4^<i>O</i>:<i>O</i>':<i>N</i>:<i>N</i>')tricopper(I)(3 <i>Cu</i>—<i>Cu</i>)]
Acta Crystallographica Section C, 2016, 72, 63-67
2020323 CIF
HKL
Paper
C15 H23.57 Cl N O1.79P 1 21/c 113.9428; 9.3285; 13.6865
90; 119.273; 90
1552.82Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A.
The dangerous new synthetic drug α-PVP as the hydrated chloride salt α-pyrrolidinopentiophenone hydrochloride 0.786-hydrate
Acta Crystallographica Section C, 2016, 72, 48-51
2020324 CIF
HKL
Paper
C26 H20 Cl2 N4P -16.1037; 9.3345; 10.4146
83.039; 77.139; 85.055
573.15Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher
Triclinic and monoclinic polymorphs of <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder
Acta Crystallographica Section C, 2016, 72, 57-62
2020325 CIF
HKL
Paper
C26 H20 Cl2 N4C 1 2/c 122.657; 5.4399; 19.086
90; 99.967; 90
2316.9Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher
Triclinic and monoclinic polymorphs of <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder
Acta Crystallographica Section C, 2016, 72, 57-62
2020326 CIF
HKL
C11 H13 N3 O3 S2P 1 21/n 16.5716; 16.3193; 12.8982
90; 91.219; 90
1382.94Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L.
Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid
Acta Crystallographica Section C, 2016, 72, 75-79
2020327 CIF
HKL
C23 H21 N3 O3 S2P 1 21/c 128.5519; 7.9549; 21.393
90; 111.841; 90
4510.2Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L.
Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid
Acta Crystallographica Section C, 2016, 72, 75-79
2020328 CIF
HKL
C16 H15 N3 O3 S2P 1 21/n 17.3383; 31.5484; 8.0521
90; 110.253; 90
1748.9Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L.
Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid
Acta Crystallographica Section C, 2016, 72, 75-79
2020329 CIF
HKL
Paper
C22 H24 Cl3 N5 O2 Zn2P 1 21/n 19.4985; 11.3423; 23.3697
90; 98.263; 90
2491.6Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.
A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)
Acta Crystallographica Section C, 2016, 72, 68-74
2020330 CIF
HKL
Paper
C22 H24 Br3 N5 O2 Zn2P c a 2118.7061; 13.3342; 20.4516
90; 90; 90
5101.3Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.
A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)
Acta Crystallographica Section C, 2016, 72, 68-74
2020331 CIF
HKL
Paper
C44 H63 Br6 Cu4 N10 O11.5P -111.2516; 15.0606; 18.3213
112.087; 94.38; 90.486
2866.1Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.
A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)
Acta Crystallographica Section C, 2016, 72, 68-74
2020332 CIF
HKL
Paper
F4 H6 O5 V2C 1 2/c 114.453; 4.8879; 9.663
90; 103.24; 90
664.5Black, Cameron; Lightfoot, Philip
V~2~O~2~F~4~(H~2~O)~2~·H~2~O: a new V^4+^ layer structure related to VOF~3~
Acta Crystallographica Section C, 2016, 72, 80-83
2020333 CIF
HKL
Paper
C21 H22 Cl4 N14 O4P -110.8229; 11.7395; 12.7637
62.633; 70.877; 81.182
1360.7Gerhardt, Valeska; Bolte, Michael
6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?
Acta Crystallographica Section C, 2016, 72, 84-93
2020334 CIF
HKL
Paper
C63 H66 Cl12 N42 O12P -114.0097; 14.0185; 21.4229
83.774; 84; 83.554
4137.9Gerhardt, Valeska; Bolte, Michael
6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?
Acta Crystallographica Section C, 2016, 72, 84-93
2020335 CIF
HKL
Paper
C5 H6 Br N3 OP 1 21/n 19.8154; 9.9532; 14.344
90; 108.021; 90
1332.6Gerhardt, Valeska; Bolte, Michael
6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?
Acta Crystallographica Section C, 2016, 72, 84-93
2020336 CIF
HKL
Paper
C15 H21 Br2 N7 O3P 1 21/n 111.7075; 14.0308; 11.8308
90; 103.096; 90
1892.8Gerhardt, Valeska; Bolte, Michael
6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?
Acta Crystallographica Section C, 2016, 72, 84-93
2020337 CIF
HKL
Paper
C9.64 H11.27 Br1.64 Cl0.37 N6 O2P 1 21/n 19.27; 11.423; 12.559
90; 98.61; 90
1314.9Gerhardt, Valeska; Bolte, Michael
6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?
Acta Crystallographica Section C, 2016, 72, 84-93
2020385 CIF
HKL
Paper
C10 H10 Cl N O2P 21 21 214.1713; 14.7792; 16.1755
90; 90; 90
997.19Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon
Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate
Acta Crystallographica Section C, 2016, 72, 94-98
2020386 CIF
HKL
Paper
C19 H17 N O4P c a 219.7969; 17.594; 9.6425
90; 90; 90
1662Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon
Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate
Acta Crystallographica Section C, 2016, 72, 94-98
2020388 CIF
HKL
Paper
C12 H18 Cl2 N2 O2P -15.3844; 7.3682; 9.7405
104.395; 102.234; 97.2263
359.25Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K.
Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide
Acta Crystallographica Section C, 2016, 72
2020389 CIF
HKL
C12 H14 Br2 N2P -15.7608; 6.4257; 9.6848
80.7074; 81.2351; 70.8554
332.33Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K.
Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide
Acta Crystallographica Section C, 2016, 72
2020390 CIF
HKL
Paper
C21 H22 O8P 21 21 2119.3239; 22.921; 4.1385
90; 90; 90
1833Noguchi, Shuji; Atsumi, Haruka; Iwao, Yasunori; Kan, Toshiyuki; Itai, Shigeru
Nobiletin: a citrus flavonoid displaying potent physiological activity
Acta Crystallographica Section C, 2016, 72, 124-127
2020391 CIF
HKL
Paper
C11 H15 N O4P 1 21 16.7342; 7.8271; 10.7822
90; 96.442; 90
564.73Smith, Graham; Lynch, Daniel E.
Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues
Acta Crystallographica Section C, 2016, 72, 105-111
2020392 CIF
HKL
Paper
C11 H13 N3 O8I 1 2/a 117.8382; 10.322; 14.5599
90; 101.06; 90
2631.1Smith, Graham; Lynch, Daniel E.
Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues
Acta Crystallographica Section C, 2016, 72, 105-111
2020393 CIF
HKL
Paper
C11 H13 N3 O7C 1 2/c 121.208; 5.6443; 23.9753
90; 116.326; 90
2572.3Smith, Graham; Lynch, Daniel E.
Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues
Acta Crystallographica Section C, 2016, 72, 105-111
2020394 CIF
HKL
Paper
C11 H15 N3 O5P 1 21/n 19.1015; 7.1128; 19.2693
90; 91.233; 90
1247.15Smith, Graham; Lynch, Daniel E.
Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues
Acta Crystallographica Section C, 2016, 72, 105-111
2020395 CIF
HKL
C24 H16 N4 O8 ZnP 1 21/c 120.526; 7.5873; 15.473
90; 105.598; 90
2321Tang, Long; Wang, Ji-Jiang; Fu, Feng; Wang, Sheng-Wen; Liu, Qi-Rui
A threefold interpenetrated two-dimensional zinc(II) supramolecular architecture based on 3-nitrobenzoic acid and 4,4'-bipyridine
Acta Crystallographica Section C, 2016, 72, 128-132
2020396 CIF
HKL
Paper
C32 H40 Cu4 N8 O12 S2P -18.4421; 11.435; 11.909
111.67; 107.76; 95.87
987Jiao, Chen; Zhang, Si-Si; Li, Zuo-Yin; Liu, Jian-Jun; Lin, Mei-Jin; Huang, Chang-Cang
Syntheses and structures of discrete copper(II) and cadmium(II) supramolecular complexes based on 1,4-diacylthiosemicarbazone ligands
Acta Crystallographica Section C, 2016, 72, 119-123
2020397 CIF
HKL
Paper
C42 H44 Cd2 N12 O14 S2P -19.959; 10.531; 12.617
81.35; 82.13; 65.6
1187.2Jiao, Chen; Zhang, Si-Si; Li, Zuo-Yin; Liu, Jian-Jun; Lin, Mei-Jin; Huang, Chang-Cang
Syntheses and structures of discrete copper(II) and cadmium(II) supramolecular complexes based on 1,4-diacylthiosemicarbazone ligands
Acta Crystallographica Section C, 2016, 72, 119-123
2020398 CIF
HKL
Paper
C42 H34 N4 O14 Zn2P -19.5585; 10.0434; 10.6027
92.365; 94.032; 103.509
985.5Lu, Ji-Tao; Meng, Dan-Dan; Meng, Qing-Guo
Assembly of Zn^II^ and Cd^II^ coordination polymers based on a flexible multicarboxylate ligand and nitrogen-containing auxiliary ligands through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties
Acta Crystallographica Section C, 2016, 72, 99-104
2020399 CIF
HKL
Paper
C52 H44 Cd2 N6 O14P -16.8275; 12.7613; 14.877
106.134; 101.602; 97.496
1195.55Lu, Ji-Tao; Meng, Dan-Dan; Meng, Qing-Guo
Assembly of Zn^II^ and Cd^II^ coordination polymers based on a flexible multicarboxylate ligand and nitrogen-containing auxiliary ligands through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties
Acta Crystallographica Section C, 2016, 72, 99-104
2020400 CIF
HKL
Paper
C16 H37 Cl N4 O7P -18.3119; 10.7358; 12.2031
106.332; 90.296; 93.842
1042.33Jurek, Paul; Reibenspies, Joseph H.; Kiefer, Garry E.
CB-TE2A^+^·Cl^{-^}·3H~2~O: a short intermolecular hydrogen bond between zwitterionic bicyclo[6.6.2]tetraamine macrocycles
Acta Crystallographica Section C, 2016, 72, 139-142
2020401 CIF
HKL
Paper
C13 H9 N O4 ZnP 1 21/n 17.3974; 16.5945; 10.3281
90; 104.815; 90
1225.7Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling
Two-dimensional Zn^II^ and one-dimensional Co^II^ coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands
Acta Crystallographica Section C, 2016, 72, 133-138
2020402 CIF
HKL
C18 H16 Co N2 O5C 1 2/c 120.8487; 8.9363; 20.736
90; 117.032; 90
3441.3Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling
Two-dimensional Zn^II^ and one-dimensional Co^II^ coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands
Acta Crystallographica Section C, 2016, 72, 133-138
2020403 CIF
Paper
C30 H38 Co2 N2 O18P 1 21/n 113.1337; 9.8973; 14.5191
90; 116.449; 90
1689.77Xie, Min; Xu, Guo-Hai
Bis(triethanolamine)bis(μ~2~-trimesato)dicobalt(II): a Co^II^ dimer with an unreported two-dimensional supramolecular topology formed from triethanolamine and trimesic acid ligands
Acta Crystallographica Section C, 2016, 72, 143-148
2020404 CIF
HKL
Paper
C23 H20 Cu2 N8 O2P -110.114; 10.1578; 11.9844
72.725; 87.397; 78.487
1151.91Hopa, Cigdem; Cokay, Ismail
Synthesis, structural characterization and thermal properties of a new copper(II) one-dimensional coordination polymer based on bridging <i>N</i>,<i>N</i>'-bis(2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine and dicyanamide ligands
Acta Crystallographica Section C, 2016, 72, 149-154
2020405 CIF
HKL
Paper
C62 H64 Mo2 N10 Ni6 O23P -110.5079; 12.7461; 14.585
111.551; 95.979; 98.854
1767.6Dou, Ming-Yu; Lu, Jing
A novel octanuclear nickel(II)‒molybdenum(VI) heterometallic cluster based on the salicylhydroxamate ligand
Acta Crystallographica Section C, 2016, 72, 161-165
2020406 CIF
HKL
Paper
C4 H10 N8 Na2 O6P b c a6.4055; 11.587; 15.805
90; 90; 90
1173.1Guo, Jiajia; Cao, Wenli; Li, Shuailei; Miao, Kanghua; Song, Jirong; Huang, Jie
Synthesis and crystal structure of a two-dimensional sodium coordination polymer of 4,4'-(diazenediyl)bis(1<i>H</i>-1,2,4-triazol-5-one)
Acta Crystallographica Section C, 2016, 72, 166-169
2020407 CIF
HKL
Paper
C15 H15 Cl N2 OP 21 21 215.4867; 9.8381; 50.3061
90; 90; 90
2715.5Buist, Amanda R.; Kennedy, Alan R.
Salt forms of the pharmaceutical amide dihydrocarbamazepine
Acta Crystallographica Section C, 2016, 72, 155-160
2020408 CIF
HKL
Paper
C15 H17 Cl N2 O2P 1 21/c 15.3048; 24.4966; 11.0163
90; 96.731; 90
1421.7Buist, Amanda R.; Kennedy, Alan R.
Salt forms of the pharmaceutical amide dihydrocarbamazepine
Acta Crystallographica Section C, 2016, 72, 155-160
2020409 CIF
HKL
Paper
C15 H17 Br N2 O2P 1 21/c 15.4857; 24.5526; 10.9796
90; 96.931; 90
1468.02Buist, Amanda R.; Kennedy, Alan R.
Salt forms of the pharmaceutical amide dihydrocarbamazepine
Acta Crystallographica Section C, 2016, 72, 155-160
2020410 CIF
HKL
C30 H34 Cl2 Co N10 O6P -18.5194; 10.0059; 10.2685
82.304; 84.182; 78.163
846.53Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun
Two cobalt(II) supramolecular isomers based on <i>N</i>,<i>N</i>'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules
Acta Crystallographica Section C, 2016, 72, 170-173
2020411 CIF
HKL
C30 H34 Cl2 Co N10 O6P -19.2991; 9.3832; 10.7003
66.316; 79.647; 85.347
841.06Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun
Two cobalt(II) supramolecular isomers based on <i>N</i>,<i>N</i>'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules
Acta Crystallographica Section C, 2016, 72, 170-173
2020413 CIF
HKL
Paper
C17 H12 Cd N O5C 1 2/c 119.49; 9.985; 15.54
90; 96.25; 90
3006.2Yu, Cai-Xia; Gao, Yan-Ping; Cui, Xiao-Qing; Guo, Meng-Jiao; Liu, Lei-Lei
The crystal structure and photocatalytic properties of a three-dimensional cadmium(II) metal‒organic framework: poly[bis(μ~3~-benzene-1,2-dicarboxylato)[μ~2~-1,4-bis(pyridin-3-ylmethoxy)benzene]dicadmium(II)]
Acta Crystallographica Section C, 2016, 72, 174-178
2020414 CIF
HKL
Paper
C41 H44 O5.3P 21 21 219.5183; 9.595; 36.207
90; 90; 90
3306.7Guzei, Ilia A.; Miles, Kelsey C.
<i>Ab initio</i> X-ray structural characterization of an inclusion compound with a compositionally disordered chiral guest: no prior knowledge of the crystal composition
Acta Crystallographica Section C, 2016, 72, 179-183
2020415 CIF
HKL
Paper
C22 H11 B F12P 21 21 218.3748; 18.2499; 27.5695
90; 90; 90
4213.7Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
Acta Crystallographica Section C, 2016, 72, 189-197
2020416 CIF
HKL
Paper
C24 H9 B F18P -18.2059; 8.7103; 18.0982
103.491; 95.43; 99.093
1230.38Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
Acta Crystallographica Section C, 2016, 72, 189-197
2020417 CIF
HKL
Paper
C24 H9 B F18P -110.8257; 11.4704; 12.0198
117.067; 101.774; 100.795
1232.1Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
Acta Crystallographica Section C, 2016, 72, 189-197
2020418 CIF
HKL
Paper
C26 H25 B F6P 1 21/n 18.35; 34.37; 8.5512
90; 107.062; 90
2346.1Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
Acta Crystallographica Section C, 2016, 72, 189-197
2020419 CIF
HKL
Paper
C16 H6 B F13P 1 21/n 112.9807; 9.2709; 15.269
90; 113.455; 90
1685.7Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
Acta Crystallographica Section C, 2016, 72, 189-197
2020420 CIF
HKL
Paper
C17 H19 F2 N3 O PtP 21 21 214.5317; 12.6474; 28.675
90; 90; 90
1643.5Raven, William; Joschko, Thomas; Kalf, Irmgard; Englert, Ulli
Hydrogen <i>versus</i> fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex
Acta Crystallographica Section C, 2016, 72, 184-188
2020421 CIF
HKL
Paper
C16 H16 F6 N4 O6 S2P 1 21/c 111.37505; 16.09785; 11.60677
90; 96.0475; 90
2113.53Duhayon, Carine; Canac, Yves; Dubrulle, Laurent; Maaliki, Carine; Chauvin, Remi
The search for formal electrostatic effects on molecular conformation and crystal packing: crystal structure of 2,2''-disubstituted (H <i>versus</i> PPh~2~) 1,1'-(1,2-phenylene)bis(3-methyl-1<i>H</i>-imidazol-3-ium) bis(trifluoromethanesulfonate)
Acta Crystallographica Section C, 2016, 72, 198-202
2020422 CIF
HKL
Paper
C14 H15 N5 O3P 4110.281404; 10.281404; 26.15892
90; 90; 90
2765.19Fischer, Franziska; Schmidt, Martin U.; Greiser, Sebastian; Emmerling, Franziska
The challenging case of the theophylline‒benzamide cocrystal
Acta Crystallographica Section C, 2016, 72, 217-224
2020423 CIF
HKL
Paper
C30 H60 Cl6 Hg3 N6 O2 P2P 1 21/n 111.1182; 10.5995; 19.338
90; 96.337; 90
2265Saneei, Anahid; Pourayoubi, Mehrdad; Crochet, Aurelien; Fromm, Katharina M.
The first phosphoramide‒mercury(II) complex with a Cl~2~Hg‒OP[N(C)(C)]~3~ segment
Acta Crystallographica Section C, 2016, 72, 230-233
2020424 CIF
HKL
Paper
C9 H24 N2 O5C 1 2/c 110.6114; 6.3184; 19.063
90; 104.075; 90
1239.7Ben Nasr, Mahjouba; Aubert, Emmanuel; Espinosa, Enrique
A comparative study of two polymorphs of bis(1-hydroxy-2-methylpropan-2-aminium) carbonate
Acta Crystallographica Section C, 2016, 72, 225-229
2020425 CIF
HKL
Paper
C32 H22 Cu N4 O2P -19.7987; 10.3849; 13.9923
79.948; 69.724; 66.911
1227.39Chatturgoon, Teshica; Akerman, Matthew P.
X-ray and DFT-calculated structures of bis[<i>N</i>-(quinolin-8-yl)benzamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)
Acta Crystallographica Section C, 2016, 72, 234-238
2020426 CIF
HKL
Paper
C4 H8 Fe Na O12I 419.8572; 9.8572; 10.7595
90; 90; 90
1045.44Benhacine, Mohamed Al Amine; Hamadène, Malika; Bouacida, Sofiane; Merazig, Hocine
The new one-dimensional coordination polymer <i>catena</i>-poly[[diaquasodium(I)]-μ-oxalato-[diaquairon(III)]-μ-oxalato]
Acta Crystallographica Section C, 2016, 72, 243-250
2020427 CIF
HKL
Paper
C41.5 H40 Cl6 Cu2 N8 O9C 1 2/c 133.62; 14.897; 20.948
90; 110.544; 90
9824Barati, Kazem; Clegg, William; Habibi, Mohammad Hossein; Harrington, Ross W.; Lalegani, Arash; Montazerozohori, Morteza
Synthesis and crystal structure of the dinuclear copper(II) Schiff base complex μ-hydroxido-μ-chlorido-bis{[bis(<i>trans</i>-2-nitrocinnamaldehyde)ethylenediamine]chloridocopper(II)} dichloromethane sesquisolvate
Acta Crystallographica Section C, 2016, 72, 239-242
2020430 CIF
HKL
Paper
C21 H15 Cl F4 N4 O3P 1 21/c 17.6972; 24.3703; 11.358
90; 93.545; 90
2126.5Sun, Meng-Ying; Wu, Su-Xiang; Zhou, Xin-Bo; Gu, Jian-Ming; Hu, Xiu-Rong
Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate
Acta Crystallographica Section C, 2016, 72, 291-296
2020431 CIF
HKL
Paper
C21 H17 Cl F4 N4 O4P 1 21/c 14.7783; 21.9538; 20.5581
90; 92.341; 90
2154.78Sun, Meng-Ying; Wu, Su-Xiang; Zhou, Xin-Bo; Gu, Jian-Ming; Hu, Xiu-Rong
Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate
Acta Crystallographica Section C, 2016, 72, 291-296
2020432 CIF
HKL
Paper
C18 H20 N2 O6 S2P 1 21/n 115.722; 6.1383; 19.5185
90; 94.954; 90
1876.6Gaytán-Barrientos, Nancy Sarahy; Morales-Morales, David; Herrera-Ruiz, Dea; Reyes-Martínez, Reyna; Rivera-Islas, Jesús
Sulfonate salts of the therapeutic agent dapsone: 4-[(4-aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate and 4-[(4-aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate
Acta Crystallographica Section C, 2016, 72, 280-284
2020433 CIF
HKL
C13 H18 N2 O6 S2P 1 21/n 115.9355; 6.0062; 17.1547
90; 97.222; 90
1628.88Gaytán-Barrientos, Nancy Sarahy; Morales-Morales, David; Herrera-Ruiz, Dea; Reyes-Martínez, Reyna; Rivera-Islas, Jesús
Sulfonate salts of the therapeutic agent dapsone: 4-[(4-aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate and 4-[(4-aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate
Acta Crystallographica Section C, 2016, 72, 280-284
2020434 CIF
HKL
Paper
C36 H36 N16 Ni2 O14 S2P -19.4131; 9.9334; 13.0829
77.65; 83.824; 70.284
1124.11Wu, Xiang-Wen; Yin, Shi; Wu, Wan-Fu; Ma, Jian-Ping
Synthesis and characterization of two novel bimetallic macrocyclic complexes generated from 1,2,4-triazole-containing semi-rigid ligands and <i>M</i>(NO~3~)~2~ units (<i>M</i> = Ni and Zn)
Acta Crystallographica Section C, 2016, 72, 285-290
2020435 CIF
HKL
Paper
C36 H36 N16 O14 S2 Zn2P -110.0414; 14.4893; 15.6001
88.257; 81.614; 80.184
2212.53Wu, Xiang-Wen; Yin, Shi; Wu, Wan-Fu; Ma, Jian-Ping
Synthesis and characterization of two novel bimetallic macrocyclic complexes generated from 1,2,4-triazole-containing semi-rigid ligands and <i>M</i>(NO~3~)~2~ units (<i>M</i> = Ni and Zn)
Acta Crystallographica Section C, 2016, 72, 285-290
2020436 CIF
HKL
Paper
C24 H12 B Cl N6P n m a12.0347; 14.806; 10.2883
90; 90; 90
1833.2Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.
Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation
Acta Crystallographica Section C, 2016, 72, 297-307
2020437 CIF
HKL
Paper
C24 H12 B Cl N6P n m a12.0156; 14.8099; 10.242
90; 90; 90
1822.6Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.
Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation
Acta Crystallographica Section C, 2016, 72, 297-307
2020438 CIF
HKL
Paper
C24 H12 B Cl N6P n m a11.9993; 14.7761; 10.242
90; 90; 90
1815.9Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.
Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation
Acta Crystallographica Section C, 2016, 72, 297-307
2020439 CIF
HKL
Paper
C24 H12 B Cl N6P n m a12.0187; 14.798; 10.2632
90; 90; 90
1825.3Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.
Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation
Acta Crystallographica Section C, 2016, 72, 297-307
2020440 CIF
HKL
Paper
C24 H12 B Cl N6P n m a12.0634; 14.8634; 10.3901
90; 90; 90
1863Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.
Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation
Acta Crystallographica Section C, 2016, 72, 297-307
2020441 CIF
HKL
Paper
C30 H28 N4 O6 SnP -110.1883; 12.9209; 23.0447
102.352; 95.2584; 104.153
2840.09Linden, Anthony; Basu Baul, Tushar S.
π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes
Acta Crystallographica Section C, 2016, 72, 313-325
2020442 CIF
HKL
Paper
C78 H86 N8 O12 Sn2P -112.0462; 13.6264; 22.8143
102.267; 100.318; 91.6029
3591.71Linden, Anthony; Basu Baul, Tushar S.
π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes
Acta Crystallographica Section C, 2016, 72, 313-325
2020443 CIF
HKL
Paper
C90 H128 Ca2 N12 O26 S4C 1 2 132.1; 10.56; 15.8
90; 110.7; 90
5010.1Cong, Hengjiang
Crystal structure and bonding analysis of the first dinuclear calcium(II)‒proton-pump inhibitor (PPI) `butterfly molecule': a combined microcrystal synchrotron and DFT study
Acta Crystallographica Section C, 2016, 72, 326-336
2020444 CIF
HKL
Paper
C28 H38 Cl4 N16 O2 S4 ZnC 1 2/c 119.4354; 16.7556; 15.3266
90; 119.483; 90
4344.8Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan
Supramolecular hydrogen-bonding patterns in the organic‒inorganic hybrid compound bis(4-amino-5-chloro-2,6-dimethylpyrimidinium) tetrathiocyanatozinc(II)‒4-amino-5-chloro-2,6-dimethylpyrimidine‒water (1/2/2)
Acta Crystallographica Section C, 2016, 72, 337-340
2020445 CIF
HKL
Paper
C12 H8 Cl I4 N OP 1 21/n 17.6227; 13.9464; 16.0161
90; 101.644; 90
1667.62Bartashevich, E. V.; Batalov, V. I.; Yushina, I. D.; Stash, A. I.; Chen, Y. S.
Nontypical iodine‒halogen bonds in the crystal structure of (3<i>E</i>)-8-chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4-<i>ij</i>]quinolin-4-ium triiodide
Acta Crystallographica Section C, 2016, 72, 341-345
2020446 CIF
HKL
Paper
C14 H15 N3 OP 1 21/c 117.0839; 4.235; 16.2258
90; 94.047; 90
1171.01Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020447 CIF
HKL
Paper
C18 H23 N3 O2P 1 21/c 111.4233; 7.3707; 20.4624
90; 93.561; 90
1719.56Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020448 CIF
HKL
Paper
C16 H20 N4 OP b c a18.886; 7.9898; 19.335
90; 90; 90
2917.6Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020449 CIF
HKL
Paper
C22 H24 N4 OP 1 21/c 112.2994; 9.1501; 16.171
90; 95.289; 90
1812.15Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020450 CIF
HKL
Paper
C22 H22 N4P 1 21 17.7594; 8.5383; 13.4525
90; 100.483; 90
876.38Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020451 CIF
HKL
Paper
C23 H24 N4P c c n15.083; 27.563; 8.8681
90; 90; 90
3686.8Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020452 CIF
HKL
Paper
C66 H48 Cu4 N12 O14P 1 21/c 111.898; 28.663; 8.343
90; 97.77; 90
2819.1Liu, Ya-Hui; Lu, Li-Ping; Zhu, Miao-Li; Su, Feng
A three-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from biphenyl-3,4',5-tricarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands
Acta Crystallographica Section C, 2016, 72, 358-362
2020464 CIF
HKL
Paper
C40 H36 N2 O14 Zn2P c c a16.864; 11.067; 22.764
90; 90; 90
4248.5Liang, Feng-Lan; Ma, De-Yun; Qin, Liang
A hydrostable and twofold interpenetrating three-dimensional zinc‒organic framework with rob topology based on 4,4'-oxydibenzoate and 3,3'-dimethyl-4,4'-bipyridine ligands
Acta Crystallographica Section C, 2016, 72, 373-378
2020465 CIF
HKL
C5 H6 N2 O3P -14.874; 7.663; 8.325
66.97; 88.09; 87.07
285.7Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020466 CIF
HKL
C8 H11 N3 O5P 1 21/c 18.671; 12.394; 9.381
90; 90.17; 90
1008.2Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020467 CIF
HKL
C7 H10 N2 O5 SP 1 21/n 16.9341; 6.9015; 20.919
90; 96.604; 90
994.5Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020468 CIF
HKL
C9 H13 N3 O5P 1 21/n 111.7707; 6.1053; 15.271
90; 90.858; 90
1097.3Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020469 CIF
HKL
C8 H11 N3 O4 SP 1 21/c 110.1742; 11.4616; 9.9715
90; 104.318; 90
1126.7Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020470 CIF
HKL
C7 H10 N2 O4 S2P -17.0475; 8.9534; 9.2802
115.79; 95.753; 95.791
517.72Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020471 CIF
HKL
C11 H16 N2 O6 SP -15.2819; 10.3542; 13.0071
89.377; 85.143; 77.7
692.51Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388

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