Crystallography Open Database

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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
2020472 CIF
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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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Paper
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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
HKL
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

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