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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
2020472 CIF
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C5 H4 N2 O3 SP 1 21/c 111.409; 15.552; 7.369
90; 97.599; 90
1296Seiler, 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
2020473 CIF
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Paper
C22 H21 N OP 1 21/c 124.8049; 10.7126; 12.1932
90; 95.929; 90
3222.7Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo
Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity
Acta Crystallographica Section C, 2016, 72, 363-372
2020474 CIF
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C22 H21 N OP 21 21 217.5541; 14.7914; 15.4049
90; 90; 90
1721.28Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo
Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity
Acta Crystallographica Section C, 2016, 72, 363-372
2020475 CIF
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C22 H21 N OP 1 21 17.2201; 7.8128; 14.7409
90; 93.69; 90
829.8Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo
Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity
Acta Crystallographica Section C, 2016, 72, 363-372
2020476 CIF
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C18 H18 F N OP b c a7.5932; 7.5859; 51.01
90; 90; 90
2938.2Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo
Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity
Acta Crystallographica Section C, 2016, 72, 363-372
2020477 CIF
HKL
C15 H20 F N OR -3 :H25.119; 25.119; 11.2812
90; 90; 120
6164.4Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo
Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity
Acta Crystallographica Section C, 2016, 72, 363-372
2020478 CIF
HKL
C15 H20 F N OR -3 :H49.395; 49.395; 11.1802
90; 90; 120
23623.6Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo
Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity
Acta Crystallographica Section C, 2016, 72, 363-372
2020479 CIF
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Paper
C36 H30 Cd N6 O7P -19.9863; 10.3722; 15.7502
91.755; 99.029; 95.042
1603.32Zhang, Zhi-Liang; Liu, Jia-Cheng
A new one-dimensional cadmium(II) coordination polymer incorporating 4-[4-(1<i>H</i>-imidazol-1-yl)phenyl]pyridine and 5-hydroxybenzene-1,3-dicarboxylate ligands
Acta Crystallographica Section C, 2016, 72, 389-392
2020480 CIF
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Paper
C16 H17 N3 O6P 1 21/c 113.0087; 7.2092; 17.0024
90; 101.297; 90
1563.6Badour, Alec R.; Wisniewski, John A.; Mohanty, Dillip K.; Squattrito, Philip J.
Two <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents
Acta Crystallographica Section C, 2016, 72, 405-410
2020481 CIF
HKL
Paper
C16 H16 N2 O6 SC 1 2 121.26; 5.7264; 14.2762
90; 103.456; 90
1690.3Badour, Alec R.; Wisniewski, John A.; Mohanty, Dillip K.; Squattrito, Philip J.
Two <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents
Acta Crystallographica Section C, 2016, 72, 405-410
2020482 CIF
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Paper
C19 H32 O5P 21 21 216.9028; 11.0334; 24.451
90; 90; 90
1862.2Faroque, Muhammad Umer; Yousuf, Sammer; Zafar, Salman; Choudhary, M. Iqbal; Ahmed, Maqsood
Transferred multipolar atom model for 10β,17β-dihydroxy-17α-methylestr-4-en-3-one dihydrate obtained from the biotransformation of methyloestrenolone
Acta Crystallographica Section C, 2016, 72, 398-404
2020483 CIF
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C29 H41 Cl N2 Ni O8 P2P b c a11.7012; 16.2076; 35.285
90; 90; 90
6691.7García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David
A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)
Acta Crystallographica Section C, 2016, 72, 393-397
2020484 CIF
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C29 H41 Cl N2 Ni O8 P2C 1 c 110.9248; 21.5339; 15.071
90; 101.851; 90
3469.9García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David
A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)
Acta Crystallographica Section C, 2016, 72, 393-397
2020485 CIF
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C10 H9 N O S2P 1 21/n 18.4228; 7.9082; 16.2102
90; 97.152; 90
1071.35Balti, Monaem; Norberg, Bernadette; Efrit, Mohamed Lotfi; Lanners, Steve; Wouters, Johan
Conformation and tautomerism of methoxy-substituted 4-phenyl-4-thiazoline-2-thiones: a combined crystallographic and <i>ab initio</i> investigation
Acta Crystallographica Section C, 2016, 72, 421-425
2020486 CIF
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C10 H9 N O S2P 1 21/n 14.7187; 12.0438; 17.8972
90; 93.752; 90
1014.94Balti, Monaem; Norberg, Bernadette; Efrit, Mohamed Lotfi; Lanners, Steve; Wouters, Johan
Conformation and tautomerism of methoxy-substituted 4-phenyl-4-thiazoline-2-thiones: a combined crystallographic and <i>ab initio</i> investigation
Acta Crystallographica Section C, 2016, 72, 421-425
2020487 CIF
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C83 H109 O5 P3 S6 Si6 V2C 1 2/c 118.474; 25.4633; 19.3663
90; 100.036; 90
8970.7Wu, Hong-Ming; Chang, Ya-Ho; Su, Chia-Lin; Lee, Gene-Hsiang; Hsu, Hua-Fen
A non-oxo methanolate-bridged divanadium(IV) complex with tris(2-sulfanidylphenyl)phosphane ligands: synthesis, structural characterization and magnetic investigation
Acta Crystallographica Section C, 2016, 72, 416-420
2020488 CIF
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Paper
C28 H40 Br2 Cd3 Cl4 N4 O4P -18.1048; 10.3928; 11.574
100.957; 96.178; 99.694
933.59Yahsi, Yasemin; Ozbek, Hatice; Aygun, Muhittin; Kara, Hulya
Crystal structure and photoluminescence properties of a new Cd^II^ coordination polymer <i>catena</i>-poly[bis[4-bromo-2-({[2-(pyrrolidin-1-yl)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]di-μ~3~-chlorido-di-μ~2~-chlorido-bis(methanol-κ<i>O</i>)tricadmium(II)]
Acta Crystallographica Section C, 2016, 72, 426-431
2020489 CIF
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Paper
C5 H27 Al N2 O18 S2P -16.667; 12.16; 12.911
72.3; 81.03; 85.57
984.5Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium
Acta Crystallographica Section C, 2016, 72, 432-441
2020490 CIF
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C10 H54 Co3 N4 O36 S4P -16.64; 11.71; 14.294
67.97; 81.57; 85.39
1018.8Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium
Acta Crystallographica Section C, 2016, 72, 432-441
2020491 CIF
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C10 H54 Mg3 N4 O36 S4P -16.682; 11.807; 14.309
68.23; 82.13; 84.76
1037.5Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium
Acta Crystallographica Section C, 2016, 72, 432-441
2020492 CIF
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C10 H26 N4 Ni O14 S2P -16.97; 7.913; 11.391
72.31; 89.57; 64.2
533.2Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium
Acta Crystallographica Section C, 2016, 72, 432-441
2020493 CIF
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C10 H26 N4 O14 S2 ZnP -16.977; 7.929; 11.441
72.25; 89.53; 64.45
538.2Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium
Acta Crystallographica Section C, 2016, 72, 432-441
2020494 CIF
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Paper
C70 H46 Co2 N6 O10P -19.71; 10.891; 15.546
77.129; 74.474; 65.034
1425Liu, Runqiang; Zhao, Ning; Liu, Ping; An, Caixia; Lian, Zhaoxun
Enhanced third-order nonlinear optical properties determined in thin films using the Z-scan technique: bis(μ-4,4'-oxydibenzoato)bis[(4'-phenyl-2,2':6',2''-terpyridine)cobalt(II)]
Acta Crystallographica Section C, 2016, 72, 451-455
2020495 CIF
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Paper
C48 H22 F18 P2 Pt S2P -110.3553; 10.5983; 12.4594
114.574; 104.4; 99.442
1147.61Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo
<i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands
Acta Crystallographica Section C, 2016, 72, 268-273
2020496 CIF
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Paper
C48 H22 F18 P2 Pt S2P b c a20.348; 19.511; 22.6059
90; 90; 90
8974.8Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo
<i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands
Acta Crystallographica Section C, 2016, 72, 268-273
2020497 CIF
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Paper
C22 H30 N2 O11 Zn2P -19.2372; 9.7244; 14.511
79.099; 83.298; 75.012
1233.2Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei
A two-dimensional zinc(II) coordination polymer based on mixed dimethyl succinate and bipyridine ligands: synthesis, structure, thermostability and luminescence properties
Acta Crystallographica Section C, 2016, 72, 308-312
2020498 CIF
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Paper
C17 H20 N4 O5C 1 2/c 136.5539; 6.0781; 16.5167
90; 102.228; 90
3586.4Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.
Carboxylate‒phenolate tautomerism in 5-[(nitrophenyl)diazenyl]salicylate anions
Acta Crystallographica Section C, 2016, 72, 274-279
2020499 CIF
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Paper
C17 H20 N4 O5P 1 21/c 113.4305; 6.782; 19.4498
90; 92.935; 90
1769.27Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.
Carboxylate‒phenolate tautomerism in 5-[(nitrophenyl)diazenyl]salicylate anions
Acta Crystallographica Section C, 2016, 72, 274-279
2020501 CIF
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Paper
C17 H29 I2 N5P -15.2513; 13.9534; 16.0336
101.766; 93.23; 99.0746
1130.99Cebollada, Andrea; Vellé, Alba; Sanz Miguel, Pablo J.
Hirshfeld and DFT analysis of the N-heterocyclic carbene proligand methylenebis(N-butylimidazolium) as the acetonitrile-solvated diiodide salt
Acta Crystallographica Section C Structural Chemistry, 2016, 72
2020502 CIF
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C10 H16 N5 O8 PP 21 21 217.715; 10.598; 35.481
90; 90; 90
2901.1Ślepokura, Katarzyna Anna
Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP
Acta Crystallographica Section C, 2016, 72
2020503 CIF
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C10 H12.6 N5 O6.3 PP 21 21 217.786; 10.638; 29.887
90; 90; 90
2475.5Ślepokura, Katarzyna Anna
Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP
Acta Crystallographica Section C, 2016, 72
2020504 CIF
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C10 H22 N5 O12 PP 21 21 216.691; 13.555; 19.863
90; 90; 90
1801.5Ślepokura, Katarzyna Anna
Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP
Acta Crystallographica Section C, 2016, 72
2020505 CIF
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C10 H19 N5 Na O11 PP 21 21 217.206; 12.669; 18.754
90; 90; 90
1712.1Ślepokura, Katarzyna Anna
Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP
Acta Crystallographica Section C, 2016, 72
2020506 CIF
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C10 H18 N4 Na O11 PP 21 21 216.652; 14.726; 17.208
90; 90; 90
1685.7Ślepokura, Katarzyna Anna
Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP
Acta Crystallographica Section C, 2016, 72
2020507 CIF
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Paper
C6 H9 N3 OP -16.613; 7.018; 7.078
97.374; 104.521; 92.038
314.6Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.
Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one
Acta Crystallographica Section C, 2016, 72
2020508 CIF
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Paper
C6 H9 N3 OP 1 21/c 17.188; 28.047; 13.3265
90; 101.414; 90
2633.5Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.
Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one
Acta Crystallographica Section C, 2016, 72
2020514 CIF
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C22 H21 Cd N5 O5P -18.5502; 9.2713; 15.363
88.48; 83.73; 76.65
1177.8Huang, Qiu-Ying; Lin, Xiao-Yi; Meng, Xiang-Ru
A new one-dimensional Cd^II^ coordination polymer with a two-dimensional layered structure incorporating 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,2-dicarboxylate ligands
Acta Crystallographica Section C, 2016, 72
2020515 CIF
Paper
C30 H52 O4C 1 2 123.908; 7.4853; 15.363
90; 91.89; 90
2747.8Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo
Synthesis and crystal structures of C24-epimeric 20(<i>R</i>)-ocotillol-type saponins
Acta Crystallographica Section C, 2016, 72
2020516 CIF
Paper
C30 H54 O5P 1 21 16.8503; 29.1839; 14.8014
90; 102.7; 90
2886.7Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo
Synthesis and crystal structures of C24-epimeric 20(<i>R</i>)-ocotillol-type saponins
Acta Crystallographica Section C, 2016, 72
2020517 CIF
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Paper
C60 H72 Cl6 Co N12 O4P -18.909; 13.332; 14.92
93.598; 99.037; 104.678
1683.2Zhang, Yao; Li, Jie; Ren, Guoyu; Qin, Baofu; Ma, Haixia
Synthesis, crystal structure and antifungal activity of a divalent cobalt(II) complex with uniconazole
Acta Crystallographica Section C, 2016, 72
2020518 CIF
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Paper
C26 H32 Cl2 N6 O2 ZnP -111.2504; 11.7298; 12.6588
71.518; 71.087; 65.76
1407.9DeStefano, Matthew R.; Geiger, David K.
Structural and spectroscopic characterization of two new blue luminescent pyridylbenzimidazole zinc(II) complexes
Acta Crystallographica Section C, 2016, 72
2020519 CIF
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Paper
C26 H30 N4 O5 ZnP 1 21/n 116.0866; 8.715; 18.745
90; 94.193; 90
2620.9DeStefano, Matthew R.; Geiger, David K.
Structural and spectroscopic characterization of two new blue luminescent pyridylbenzimidazole zinc(II) complexes
Acta Crystallographica Section C, 2016, 72
2020521 CIF
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Paper
C38 H33 B N O P2 RhP 1 21/c 113.9227; 12.35; 19.7966
90; 105.987; 90
3272.28Galding, M. R.; Virovets, A. V.; Kazakov, I. V.; Scheer, M.; Smirnov, S. N.; Timoshkin, A. Y.
Diminished electron density in the Vaska-type rhodium(I) complex <i>trans</i>-[Rh(NCBH~3~)(CO)(PPh~3~)~2~]
Acta Crystallographica Section C, 2016, 72, 514-517
2020522 CIF
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Paper
C11 H13 N OP 1 21 16.2155; 8.7681; 8.9686
90; 106.14; 90
469.51Donkeng Dazie, Joel; Liška, Alan; Ludvík, Jiří; Fábry, Jan; Dušek, Michal
A study of the planarity of the pyrrolone fragment in 2-isopropyl-2,3-dihydro-1<i>H</i>-isoindol-1-one
Acta Crystallographica Section C, 2016, 72, 518-524
2020525 CIF
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Paper
C18 H23 Cl2 Cu1.5 N6 O4C 1 2/c 118.5958; 16.6608; 14.2394
90; 93.692; 90
4402.5Bergamini, F. R. G.; Ribeiro, M. A.; Miranda, P. C. M. L.; Formiga, A. L. B.; Corbi, P. P.
A novel binuclear copper complex incorporating a nalidixic acid derivative displaying a one-dimensional coordination polymeric structure
Acta Crystallographica Section C, 2016, 72, 544-548
2020526 CIF
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C18 H16 N5 O5.5 ZnC 1 2/c 121.612; 10.421; 19.246
90; 116.85; 90
3867.3Jian, Shou-Jun; Han, Qian-Qian; Yang, Huai-Xia; Meng, Xiang-Ru
A new three-dimensional zinc(II) coordination polymer involving 2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate ligands
Acta Crystallographica Section C, 2016, 72, 530-535
2020527 CIF
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Paper
C28 H20 N4 O4 Pb2P -18.3754; 12.6354; 13.6686
112.213; 101.395; 95.781
1287.99Schwade, Vânia Denise; Faoro, Eliandro; Schulz Lang, Ernesto
Intermolecular Pb···N interactions in lead(II) dimers producing a supramolecular two-dimensional metal‒organic compound: bis[μ~2~-<i>N</i>'-(2-oxidobenzylidene)benzohydrazidato-κ^4^<i>O</i>:<i>O</i>,<i>N</i>',<i>O</i>']dilead(II)
Acta Crystallographica Section C, 2016, 72, 525-529
2020528 CIF
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Paper
C9 H20 N2 O4 S4P 19.489; 9.8774; 15.079
71.429; 75.65; 89.369
1294.4Görbitz, Carl Henrik; Wragg, David S.; Bakke, Ingrid Marie Bergh; Fleischer, Christian; Grønnevik, Gaute; Mykland, Maria; Park, Yoomin; Trovik, Kristian Wiedicke; Serigstad, Halvard; Sundsli, Bård Edgar Vestheim
A phase transition from monoclinic <i>C</i>2 with <i>Z</i>' = 1 to triclinic <i>P</i>1 with <i>Z</i>' = 4 for the quasiracemate <small>L</small>-2-aminobutyric acid‒<small>D</small>-methionine (1/1)
Acta Crystallographica Section C, 2016, 72, 536-543
2020529 CIF
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Paper
C9 H20 N2 O4 SC 1 2 129.1721; 4.7784; 9.8551
90; 103.145; 90
1337.77Görbitz, Carl Henrik; Wragg, David S.; Bakke, Ingrid Marie Bergh; Fleischer, Christian; Grønnevik, Gaute; Mykland, Maria; Park, Yoomin; Trovik, Kristian Wiedicke; Serigstad, Halvard; Sundsli, Bård Edgar Vestheim
A phase transition from monoclinic <i>C</i>2 with <i>Z</i>' = 1 to triclinic <i>P</i>1 with <i>Z</i>' = 4 for the quasiracemate <small>L</small>-2-aminobutyric acid‒<small>D</small>-methionine (1/1)
Acta Crystallographica Section C, 2016, 72, 536-543
2020530 CIF
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Paper
C17 H16 N2 O4 SP 21 21 215.4764; 15.9117; 18.3228
90; 90; 90
1596.63Ukrainets, Igor V.; Shishkina, Svitlana V.; Baumer, Vyacheslav N.; Gorokhova, Olga V.; Petrushova, Lidiya A.; Sim, Galina
Two pseudo-enantiomeric forms of <i>N</i>-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide and their analgesic properties
Acta Crystallographica Section C, 2016, 72, 411-415
2020531 CIF
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Paper
C17 H16 N2 O4 SP 21 21 215.4469; 15.8455; 18.2412
90; 90; 90
1574.38Ukrainets, Igor V.; Shishkina, Svitlana V.; Baumer, Vyacheslav N.; Gorokhova, Olga V.; Petrushova, Lidiya A.; Sim, Galina
Two pseudo-enantiomeric forms of <i>N</i>-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide and their analgesic properties
Acta Crystallographica Section C, 2016, 72, 411-415
2020532 CIF
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Paper
C11 H16 Cl Co N3 O6 SP -17.2407; 7.9326; 15.055
92.932; 102.406; 102.727
819.37Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular architectures in Co^II^ and Cu^II^ complexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands
Acta Crystallographica Section C, 2016, 72, 442-450
2020533 CIF
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Paper
C26 H21 Cu2 N3 O10 S4C 1 2/c 118.5881; 10.1091; 17.5284
90; 111.847; 90
3057.19Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular architectures in Co^II^ and Cu^II^ complexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands
Acta Crystallographica Section C, 2016, 72, 442-450
2020534 CIF
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Paper
C7 H5 N O4P 1 21/c 13.9356; 7.2005; 25.41
90; 90.578; 90
720.04Ibragimov, Aziz; Ashurov, Jamshid; Ibragimov, Bakhtiyar; Wang, Ai; Mouhib, Halima; Englert, Ulli
Conformational dimorphism in <i>o</i>-nitrobenzoic acid: alternative ways to avoid the O···O clash
Acta Crystallographica Section C, 2016, 72, 566-571
2020535 CIF
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B Ge2 Li4R 3 m :H4.4603; 4.4603; 18.3197
90; 90; 120
315.63Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut
Li~4~Ge~2~B as a new derivative of the Mo~2~B~5~ and Li~5~Sn~2~ structure types
Acta Crystallographica Section C, 2016, 72, 561-565
2020536 CIF
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Paper
C17 H18 N2 OP -15.6051; 8.6411; 14.3853
86.192; 81.237; 87.313
686.61Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Diastereoisomeric forms of 11-ethyl-6,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxamide: syntheses and the molecular and supramolecular structure of the minor form (6<i>RS</i>,11<i>RS</i>)-11-ethyl-6,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxamide
Acta Crystallographica Section C, 2016, 72, 549-554
2020538 CIF
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C29 H20 Ag2 N5 O4 S4P 1 21/n 115.3542; 7.9565; 24.8986
90; 98.477; 90
3008.52Dennehy, Mariana; Delgado, Fermín; Freire, Eleonora; Halac, Emilia; Baggio, Ricardo
A polymeric silver thiosaccarinate complex with a two-dimensional triply entangled mesh and argentophilic interactions
Acta Crystallographica Section C, 2016, 72, 572-577
2020539 CIF
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Paper
C92 H86 Eu2 O16P 1 21/c 112.0922; 13.9102; 23.1235
90; 95.51; 90
3871.5Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.
Di- and triphenylacetate complexes of yttrium and europium
Acta Crystallographica Section C, 2016, 72, 578-584
2020540 CIF
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Paper
C92 H86 O16 Y2P 1 21/c 111.4292; 21.371; 16.335
90; 102.37; 90
3897.3Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.
Di- and triphenylacetate complexes of yttrium and europium
Acta Crystallographica Section C, 2016, 72, 578-584
2020541 CIF
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Paper
C66 H69 Eu O12P -113.3716; 13.5971; 17.7021
93.0794; 92.9949; 118.475
2813.9Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.
Di- and triphenylacetate complexes of yttrium and europium
Acta Crystallographica Section C, 2016, 72, 578-584
2020542 CIF
Paper
C20 H20 Br2 Cu2 N2 O4P 1 21/n 19.0043; 10.2212; 22.7814
90; 92.085; 90
2095.29Yahsi, Yasemin
X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes
Acta Crystallographica Section C, 2016, 72, 585-592
2020543 CIF
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C76 H88 Cl12 Mn4 N8 O32P 1 21/n 114.126; 19.394; 17.02
90; 91.66; 90
4660.8Yahsi, Yasemin
X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes
Acta Crystallographica Section C, 2016, 72, 585-592
2020544 CIF
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Paper
C9 H6 F2 O2P 1 21/c 13.8856; 19.292; 10.9859
90; 92.221; 90
822.9Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona
Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions
Acta Crystallographica Section C, 2016, 72, 593-599
2020545 CIF
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Paper
C9 H6 F2 O2P 1 21/c 13.886; 19.185; 11.1567
90; 92.873; 90
830.7Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona
Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions
Acta Crystallographica Section C, 2016, 72, 593-599
2020546 CIF
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Paper
C21.5 H16 F4 O4P -17.6212; 10.3137; 13.1849
112.145; 96.843; 97.96
933.94Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona
Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions
Acta Crystallographica Section C, 2016, 72, 593-599
2020547 CIF
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Paper
C42 H44 Cu2 N10 Ni O6 S2P 1 21/c 119.196; 10.2943; 22.347
90; 97.998; 90
4373Hopa, Cigdem; Cokay, Ismail
Designing a heterotrinuclear CuII—NiII—CuIIcomplex from a mononuclear CuIISchiff base precursor with dicyanamide as a coligand: synthesis, crystal structure, thermal and photoluminescence properties
Acta Crystallographica Section C Structural Chemistry, 2016, 72
2020549 CIFC19 H23 N O4P -17.432; 9.962; 11.373
85.63; 85.34; 81.32
827.9Turgunov, Kambarali K.; Zhurakulov, Sherzod N.; Englert, Ulli; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir
Synthesis of 2-(2-hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and pseudosymmetry in its crystal structure
Acta Crystallographica Section C, 2016, 72
2020550 CIF
HKL
Paper
C19 H23 N O4P -17.429; 14.535; 15.675
97.575; 98.902; 92.28
1654.5Turgunov, Kambarali K.; Zhurakulov, Sherzod N.; Englert, Ulli; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir
Synthesis of 2-(2-hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and pseudosymmetry in its crystal structure
Acta Crystallographica Section C, 2016, 72
2020551 CIF
HKL
Paper
C15 H10 F N5 O7P 1 21/c 111.8062; 8.0061; 17.6442
90; 107.009; 90
1594.81Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher
Different acid‒base behaviour of a pyrazole and an isoxazole with organic acids: crystal and molecular structures of the salt 3-(4-fluorophenyl)-1<i>H</i>-pyrazolium 2,4,6-trinitrophenolate and of the cocrystal 4-amino-<i>N</i>-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1)
Acta Crystallographica Section C, 2016, 72
2020552 CIF
HKL
Paper
C18 H17 N5 O9 SP -17.8189; 8.6727; 15.9304
96.439; 94.458; 107.477
1016.79Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher
Different acid‒base behaviour of a pyrazole and an isoxazole with organic acids: crystal and molecular structures of the salt 3-(4-fluorophenyl)-1<i>H</i>-pyrazolium 2,4,6-trinitrophenolate and of the cocrystal 4-amino-<i>N</i>-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1)
Acta Crystallographica Section C, 2016, 72
2020553 CIF
HKL
Paper
C23 H21 N O3P 1 21/c 19.0386; 8.2036; 25.119
90; 96.385; 90
1851Luque, Adriana L.; Sanabria, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Unexpected ring-closure products derived from 3-(2-allylanilino)-3-phenylacrylate esters: crystal and molecular structures of 3-acetyl-8-allyl-6-methyl-2-phenylquinolin-4-yl acetate and (2<i>RS</i>)-2,8-dimethyl-4-phenyl-1,2-dihydro-6<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-6-one
Acta Crystallographica Section C, 2016, 72
2020554 CIF
HKL
Paper
C19 H17 N OC 1 2/c 117.756; 10.364; 15.232
90; 92.774; 90
2799.8Luque, Adriana L.; Sanabria, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Unexpected ring-closure products derived from 3-(2-allylanilino)-3-phenylacrylate esters: crystal and molecular structures of 3-acetyl-8-allyl-6-methyl-2-phenylquinolin-4-yl acetate and (2<i>RS</i>)-2,8-dimethyl-4-phenyl-1,2-dihydro-6<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-6-one
Acta Crystallographica Section C, 2016, 72
2020555 CIF
HKL
Paper
O41 Sr7 Te12 V4P -17.1772; 9.9314; 14.4116
96.7621; 91.9467; 100.112
1002.69Kim, Sun Woo; Emge, Thomas J.; Greenblatt, Martha
A new one-dimensional strontium vanadium tellurite, Sr~7~V~4~Te~12~O~41~
Acta Crystallographica Section C, 2016, 72
2020556 CIF
HKL
C19 H33 N11 O3 SP -17.9688; 11.2412; 14.6144
109.442; 92.075; 100.877
1205.4Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom
Acta Crystallographica Section C, 2016, 72
2020557 CIF
HKL
C9 H15 N3 O3 SP -17.2516; 8.9841; 10.736
109.275; 109.132; 97.283
601.7Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom
Acta Crystallographica Section C, 2016, 72
2020558 CIF
HKL
C10 H17 N3 O3 SP -18.209; 9.1804; 9.5617
65.128; 83.198; 78.854
640.9Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom
Acta Crystallographica Section C, 2016, 72
2020559 CIF
HKL
C8 H14 N2 O3 S2P 1 21/c 18.1891; 17.7131; 8.3032
90; 94.643; 90
1200.46Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom
Acta Crystallographica Section C, 2016, 72
2020560 CIF
HKL
C11 H17 N3 O3 SP -16.7673; 9.9189; 10.4097
82.868; 74.093; 74.741
647.3Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom
Acta Crystallographica Section C, 2016, 72
2020561 CIF
HKL
C10 H14 N6 O2 SP 1 21/c 14.6843; 13.9818; 19.5128
90; 91.45; 90
1277.6Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom
Acta Crystallographica Section C, 2016, 72
2020562 CIF
HKL
C16 H23 N9 O4 S2P 2 2 216.8086; 8.1414; 18.6651
90; 90; 90
1034.64Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom
Acta Crystallographica Section C, 2016, 72
2020563 CIF
HKL
Paper
C20 H12 Cu3 N6 O9P b c a23.095; 6.843; 26.222
90; 90; 90
4144.1Zhang, Li-Yang; Lu, Li-Ping; Feng, Si-Si
A two-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from 2-(pyridin-3-yl)-1<i>H</i>-imidazole-4,5-dicarboxylate
Acta Crystallographica Section C, 2016, 72
2020564 CIF
HKL
Paper
C26 H30 N4 O8 Zn2C 1 2/c 110.059; 20.839; 13.198
90; 106.567; 90
2652Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei
Synthesis, structure, thermostability and luminescence properties of ZnIIand CdIIcoordination polymers based on dimethysuccinate and flexible 1,4-bis(imidazol-1-ylmethyl)benzene ligands
Acta Crystallographica Section C Structural Chemistry, 2016, 72
2020565 CIF
HKL
C26 H30 Cd2 N4 O8C 1 2/c 110.575; 20.477; 13.938
90; 115.703; 90
2719.6Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei
Synthesis, structure, thermostability and luminescence properties of ZnIIand CdIIcoordination polymers based on dimethysuccinate and flexible 1,4-bis(imidazol-1-ylmethyl)benzene ligands
Acta Crystallographica Section C Structural Chemistry, 2016, 72
2020566 CIF
HKL
Paper
C17 H14 Cl N3P b c a14.73; 12.413; 16.464
90; 90; 90
3010Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher
Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines
Acta Crystallographica Section C, 2016, 72
2020567 CIF
HKL
Paper
C17 H15 N3P 1 21/n 16.6676; 26.571; 7.912
90; 104.561; 90
1356.7Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher
Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines
Acta Crystallographica Section C, 2016, 72
2020568 CIF
HKL
Paper
C16 H11 N3P b c n25.145; 16.9623; 16.8138
90; 90; 90
7171.4Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher
Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines
Acta Crystallographica Section C, 2016, 72
2020569 CIF
HKL
Paper
C17 H13 N3R -3 :H29.9202; 29.9202; 7.3811
90; 90; 120
5722.4Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher
Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines
Acta Crystallographica Section C, 2016, 72
2020570 CIF
HKL
Paper
C19 H18 Cl N3 O2P -110.1018; 10.6099; 18.8129
100.292; 91.881; 116.873
1754.78Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Different molecular conformations co-exist in each of three 2-aryl-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2016, 72
2020571 CIF
HKL
Paper
C19 H18 Cl N3 O2C 1 2/c 123.023; 8.2976; 21.602
90; 120.957; 90
3538.9Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Different molecular conformations co-exist in each of three 2-aryl-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2016, 72
2020572 CIF
HKL
Paper
C22 H40 N4P -15.299; 9.072; 10.604
92.3; 90.1; 99.61
502.18Moon, Dohyun; Hong, Yong Pyo; Choi, Jong-Ha
Spectroscopic characterization and molecular structure of 3,14-dimethyl-2,6,13,17-tetraazapentacyclo[16.4.0.1^2,17^.1^6,13^.0^7,12^]tetracosane
Acta Crystallographica Section C, 2016, 72
2020573 CIF
HKL
Paper
C13 H10 F2 N2 OC 1 2/c 120.6614; 12.6052; 9.1691
90; 109.284; 90
2254Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A.
Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea
Acta Crystallographica Section C, 2016, 72
2020574 CIF
HKL
C13 H10 F2 N2 OP n a 2123.5797; 10.1792; 4.6031
90; 90; 90
1104.85Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A.
Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea
Acta Crystallographica Section C, 2016, 72
2020575 CIF
HKL
C4 H6 N4P 1 21/c 112.033; 4.0256; 11.5992
90; 118.346; 90
494.5Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine
Acta Crystallographica Section C, 2016, 72
2020576 CIF
HKL
C6 H10 N4 OP 1 21/c 17.6282; 7.2157; 13.879
90; 102.243; 90
746.6Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine
Acta Crystallographica Section C, 2016, 72
2020577 CIF
HKL
C8 H15 N5 OP -18.0055; 8.0256; 9.3143
81.779; 78.053; 62.518
518.63Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine
Acta Crystallographica Section C, 2016, 72
2020578 CIF
HKL
C9 H15 N5 OP 1 21/n 17.387; 24.8978; 11.5485
90; 98.824; 90
2098.9Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine
Acta Crystallographica Section C, 2016, 72
2020579 CIF
HKL
C8 H10 N6 O3P 1 21/c 14.6822; 15.948; 13.514
90; 90.24; 90
1009.1Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine
Acta Crystallographica Section C, 2016, 72
2020580 CIF
HKL
C14 H24 N8 O4 SP 1 21/n 18.0115; 19.2213; 12.9531
90; 90.23; 90
1994.7Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine
Acta Crystallographica Section C, 2016, 72
2020581 CIF
HKL
C16 H28 N8 O4 SP 1 21/n 19.8868; 17.238; 12.8571
90; 88.151; 90
2190.1Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael
One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine
Acta Crystallographica Section C, 2016, 72
2020582 CIF
HKL
Paper
C80 H60 Co4 N8 O8P 1 21/n 111.6762; 18.3463; 16.07
90; 100.105; 90
3389Wang, Yingying; Wen, Meixia; Gao, Zhongjun; Sheng, Ning
Crystal structure and magnetic properties of a linear tetranuclear Co^II^ cluster
Acta Crystallographica Section C, 2016, 72

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