Crystallography Open Database

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Searching journal of publication like 'Acta crystallographica. Section C, Structural chemistry' volume of publication is 72

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2020408 CIF
HKL
Paper
C15 H17 Cl N2 O2P 1 21/c 15.3048; 24.4966; 11.0163
90; 96.731; 90
1421.7Buist, Amanda R.; Kennedy, Alan R.
Salt forms of the pharmaceutical amide dihydrocarbamazepine
Acta Crystallographica Section C, 2016, 72, 155-160
2020409 CIF
HKL
Paper
C15 H17 Br N2 O2P 1 21/c 15.4857; 24.5526; 10.9796
90; 96.931; 90
1468.02Buist, Amanda R.; Kennedy, Alan R.
Salt forms of the pharmaceutical amide dihydrocarbamazepine
Acta Crystallographica Section C, 2016, 72, 155-160
2020410 CIF
HKL
C30 H34 Cl2 Co N10 O6P -18.5194; 10.0059; 10.2685
82.304; 84.182; 78.163
846.53Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun
Two cobalt(II) supramolecular isomers based on <i>N</i>,<i>N</i>'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules
Acta Crystallographica Section C, 2016, 72, 170-173
2020411 CIF
HKL
C30 H34 Cl2 Co N10 O6P -19.2991; 9.3832; 10.7003
66.316; 79.647; 85.347
841.06Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun
Two cobalt(II) supramolecular isomers based on <i>N</i>,<i>N</i>'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules
Acta Crystallographica Section C, 2016, 72, 170-173
2020413 CIF
HKL
Paper
C17 H12 Cd N O5C 1 2/c 119.49; 9.985; 15.54
90; 96.25; 90
3006.2Yu, Cai-Xia; Gao, Yan-Ping; Cui, Xiao-Qing; Guo, Meng-Jiao; Liu, Lei-Lei
The crystal structure and photocatalytic properties of a three-dimensional cadmium(II) metal‒organic framework: poly[bis(μ~3~-benzene-1,2-dicarboxylato)[μ~2~-1,4-bis(pyridin-3-ylmethoxy)benzene]dicadmium(II)]
Acta Crystallographica Section C, 2016, 72, 174-178
2020414 CIF
HKL
Paper
C41 H44 O5.3P 21 21 219.5183; 9.595; 36.207
90; 90; 90
3306.7Guzei, Ilia A.; Miles, Kelsey C.
<i>Ab initio</i> X-ray structural characterization of an inclusion compound with a compositionally disordered chiral guest: no prior knowledge of the crystal composition
Acta Crystallographica Section C, 2016, 72, 179-183
2020415 CIF
HKL
Paper
C22 H11 B F12P 21 21 218.3748; 18.2499; 27.5695
90; 90; 90
4213.7Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
Acta Crystallographica Section C, 2016, 72, 189-197
2020416 CIF
HKL
Paper
C24 H9 B F18P -18.2059; 8.7103; 18.0982
103.491; 95.43; 99.093
1230.38Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
Acta Crystallographica Section C, 2016, 72, 189-197
2020417 CIF
HKL
Paper
C24 H9 B F18P -110.8257; 11.4704; 12.0198
117.067; 101.774; 100.795
1232.1Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
Acta Crystallographica Section C, 2016, 72, 189-197
2020418 CIF
HKL
Paper
C26 H25 B F6P 1 21/n 18.35; 34.37; 8.5512
90; 107.062; 90
2346.1Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
Acta Crystallographica Section C, 2016, 72, 189-197
2020419 CIF
HKL
Paper
C16 H6 B F13P 1 21/n 112.9807; 9.2709; 15.269
90; 113.455; 90
1685.7Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
Acta Crystallographica Section C, 2016, 72, 189-197
2020420 CIF
HKL
Paper
C17 H19 F2 N3 O PtP 21 21 214.5317; 12.6474; 28.675
90; 90; 90
1643.5Raven, William; Joschko, Thomas; Kalf, Irmgard; Englert, Ulli
Hydrogen <i>versus</i> fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex
Acta Crystallographica Section C, 2016, 72, 184-188
2020421 CIF
HKL
Paper
C16 H16 F6 N4 O6 S2P 1 21/c 111.37505; 16.09785; 11.60677
90; 96.0475; 90
2113.53Duhayon, Carine; Canac, Yves; Dubrulle, Laurent; Maaliki, Carine; Chauvin, Remi
The search for formal electrostatic effects on molecular conformation and crystal packing: crystal structure of 2,2''-disubstituted (H <i>versus</i> PPh~2~) 1,1'-(1,2-phenylene)bis(3-methyl-1<i>H</i>-imidazol-3-ium) bis(trifluoromethanesulfonate)
Acta Crystallographica Section C, 2016, 72, 198-202
2020422 CIF
HKL
Paper
C14 H15 N5 O3P 4110.281404; 10.281404; 26.15892
90; 90; 90
2765.19Fischer, Franziska; Schmidt, Martin U.; Greiser, Sebastian; Emmerling, Franziska
The challenging case of the theophylline‒benzamide cocrystal
Acta Crystallographica Section C, 2016, 72, 217-224
2020423 CIF
HKL
Paper
C30 H60 Cl6 Hg3 N6 O2 P2P 1 21/n 111.1182; 10.5995; 19.338
90; 96.337; 90
2265Saneei, Anahid; Pourayoubi, Mehrdad; Crochet, Aurelien; Fromm, Katharina M.
The first phosphoramide‒mercury(II) complex with a Cl~2~Hg‒OP[N(C)(C)]~3~ segment
Acta Crystallographica Section C, 2016, 72, 230-233
2020424 CIF
HKL
Paper
C9 H24 N2 O5C 1 2/c 110.6114; 6.3184; 19.063
90; 104.075; 90
1239.7Ben Nasr, Mahjouba; Aubert, Emmanuel; Espinosa, Enrique
A comparative study of two polymorphs of bis(1-hydroxy-2-methylpropan-2-aminium) carbonate
Acta Crystallographica Section C, 2016, 72, 225-229
2020425 CIF
HKL
Paper
C32 H22 Cu N4 O2P -19.7987; 10.3849; 13.9923
79.948; 69.724; 66.911
1227.39Chatturgoon, Teshica; Akerman, Matthew P.
X-ray and DFT-calculated structures of bis[<i>N</i>-(quinolin-8-yl)benzamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)
Acta Crystallographica Section C, 2016, 72, 234-238
2020426 CIF
HKL
Paper
C4 H8 Fe Na O12I 419.8572; 9.8572; 10.7595
90; 90; 90
1045.44Benhacine, Mohamed Al Amine; Hamadène, Malika; Bouacida, Sofiane; Merazig, Hocine
The new one-dimensional coordination polymer <i>catena</i>-poly[[diaquasodium(I)]-μ-oxalato-[diaquairon(III)]-μ-oxalato]
Acta Crystallographica Section C, 2016, 72, 243-250
2020427 CIF
HKL
Paper
C41.5 H40 Cl6 Cu2 N8 O9C 1 2/c 133.62; 14.897; 20.948
90; 110.544; 90
9824Barati, Kazem; Clegg, William; Habibi, Mohammad Hossein; Harrington, Ross W.; Lalegani, Arash; Montazerozohori, Morteza
Synthesis and crystal structure of the dinuclear copper(II) Schiff base complex μ-hydroxido-μ-chlorido-bis{[bis(<i>trans</i>-2-nitrocinnamaldehyde)ethylenediamine]chloridocopper(II)} dichloromethane sesquisolvate
Acta Crystallographica Section C, 2016, 72, 239-242
2020430 CIF
HKL
Paper
C21 H15 Cl F4 N4 O3P 1 21/c 17.6972; 24.3703; 11.358
90; 93.545; 90
2126.5Sun, Meng-Ying; Wu, Su-Xiang; Zhou, Xin-Bo; Gu, Jian-Ming; Hu, Xiu-Rong
Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate
Acta Crystallographica Section C, 2016, 72, 291-296
2020431 CIF
HKL
Paper
C21 H17 Cl F4 N4 O4P 1 21/c 14.7783; 21.9538; 20.5581
90; 92.341; 90
2154.78Sun, Meng-Ying; Wu, Su-Xiang; Zhou, Xin-Bo; Gu, Jian-Ming; Hu, Xiu-Rong
Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate
Acta Crystallographica Section C, 2016, 72, 291-296
2020432 CIF
HKL
Paper
C18 H20 N2 O6 S2P 1 21/n 115.722; 6.1383; 19.5185
90; 94.954; 90
1876.6Gaytán-Barrientos, Nancy Sarahy; Morales-Morales, David; Herrera-Ruiz, Dea; Reyes-Martínez, Reyna; Rivera-Islas, Jesús
Sulfonate salts of the therapeutic agent dapsone: 4-[(4-aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate and 4-[(4-aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate
Acta Crystallographica Section C, 2016, 72, 280-284
2020433 CIF
HKL
C13 H18 N2 O6 S2P 1 21/n 115.9355; 6.0062; 17.1547
90; 97.222; 90
1628.88Gaytán-Barrientos, Nancy Sarahy; Morales-Morales, David; Herrera-Ruiz, Dea; Reyes-Martínez, Reyna; Rivera-Islas, Jesús
Sulfonate salts of the therapeutic agent dapsone: 4-[(4-aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate and 4-[(4-aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate
Acta Crystallographica Section C, 2016, 72, 280-284
2020434 CIF
HKL
Paper
C36 H36 N16 Ni2 O14 S2P -19.4131; 9.9334; 13.0829
77.65; 83.824; 70.284
1124.11Wu, Xiang-Wen; Yin, Shi; Wu, Wan-Fu; Ma, Jian-Ping
Synthesis and characterization of two novel bimetallic macrocyclic complexes generated from 1,2,4-triazole-containing semi-rigid ligands and <i>M</i>(NO~3~)~2~ units (<i>M</i> = Ni and Zn)
Acta Crystallographica Section C, 2016, 72, 285-290
2020435 CIF
HKL
Paper
C36 H36 N16 O14 S2 Zn2P -110.0414; 14.4893; 15.6001
88.257; 81.614; 80.184
2212.53Wu, Xiang-Wen; Yin, Shi; Wu, Wan-Fu; Ma, Jian-Ping
Synthesis and characterization of two novel bimetallic macrocyclic complexes generated from 1,2,4-triazole-containing semi-rigid ligands and <i>M</i>(NO~3~)~2~ units (<i>M</i> = Ni and Zn)
Acta Crystallographica Section C, 2016, 72, 285-290
2020436 CIF
HKL
Paper
C24 H12 B Cl N6P n m a12.0347; 14.806; 10.2883
90; 90; 90
1833.2Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.
Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation
Acta Crystallographica Section C, 2016, 72, 297-307
2020437 CIF
HKL
Paper
C24 H12 B Cl N6P n m a12.0156; 14.8099; 10.242
90; 90; 90
1822.6Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.
Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation
Acta Crystallographica Section C, 2016, 72, 297-307
2020438 CIF
HKL
Paper
C24 H12 B Cl N6P n m a11.9993; 14.7761; 10.242
90; 90; 90
1815.9Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.
Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation
Acta Crystallographica Section C, 2016, 72, 297-307
2020439 CIF
HKL
Paper
C24 H12 B Cl N6P n m a12.0187; 14.798; 10.2632
90; 90; 90
1825.3Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.
Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation
Acta Crystallographica Section C, 2016, 72, 297-307
2020440 CIF
HKL
Paper
C24 H12 B Cl N6P n m a12.0634; 14.8634; 10.3901
90; 90; 90
1863Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.
Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation
Acta Crystallographica Section C, 2016, 72, 297-307
2020441 CIF
HKL
Paper
C30 H28 N4 O6 SnP -110.1883; 12.9209; 23.0447
102.352; 95.2584; 104.153
2840.09Linden, Anthony; Basu Baul, Tushar S.
π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes
Acta Crystallographica Section C, 2016, 72, 313-325
2020442 CIF
HKL
Paper
C78 H86 N8 O12 Sn2P -112.0462; 13.6264; 22.8143
102.267; 100.318; 91.6029
3591.71Linden, Anthony; Basu Baul, Tushar S.
π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes
Acta Crystallographica Section C, 2016, 72, 313-325
2020443 CIF
HKL
Paper
C90 H128 Ca2 N12 O26 S4C 1 2 132.1; 10.56; 15.8
90; 110.7; 90
5010.1Cong, Hengjiang
Crystal structure and bonding analysis of the first dinuclear calcium(II)‒proton-pump inhibitor (PPI) `butterfly molecule': a combined microcrystal synchrotron and DFT study
Acta Crystallographica Section C, 2016, 72, 326-336
2020444 CIF
HKL
Paper
C28 H38 Cl4 N16 O2 S4 ZnC 1 2/c 119.4354; 16.7556; 15.3266
90; 119.483; 90
4344.8Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan
Supramolecular hydrogen-bonding patterns in the organic‒inorganic hybrid compound bis(4-amino-5-chloro-2,6-dimethylpyrimidinium) tetrathiocyanatozinc(II)‒4-amino-5-chloro-2,6-dimethylpyrimidine‒water (1/2/2)
Acta Crystallographica Section C, 2016, 72, 337-340
2020445 CIF
HKL
Paper
C12 H8 Cl I4 N OP 1 21/n 17.6227; 13.9464; 16.0161
90; 101.644; 90
1667.62Bartashevich, E. V.; Batalov, V. I.; Yushina, I. D.; Stash, A. I.; Chen, Y. S.
Nontypical iodine‒halogen bonds in the crystal structure of (3<i>E</i>)-8-chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4-<i>ij</i>]quinolin-4-ium triiodide
Acta Crystallographica Section C, 2016, 72, 341-345
2020446 CIF
HKL
Paper
C14 H15 N3 OP 1 21/c 117.0839; 4.235; 16.2258
90; 94.047; 90
1171.01Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020447 CIF
HKL
Paper
C18 H23 N3 O2P 1 21/c 111.4233; 7.3707; 20.4624
90; 93.561; 90
1719.56Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020448 CIF
HKL
Paper
C16 H20 N4 OP b c a18.886; 7.9898; 19.335
90; 90; 90
2917.6Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020449 CIF
HKL
Paper
C22 H24 N4 OP 1 21/c 112.2994; 9.1501; 16.171
90; 95.289; 90
1812.15Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020450 CIF
HKL
Paper
C22 H22 N4P 1 21 17.7594; 8.5383; 13.4525
90; 100.483; 90
876.38Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020451 CIF
HKL
Paper
C23 H24 N4P c c n15.083; 27.563; 8.8681
90; 90; 90
3686.8Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly
Acta Crystallographica Section C, 2016, 72, 346-357
2020452 CIF
HKL
Paper
C66 H48 Cu4 N12 O14P 1 21/c 111.898; 28.663; 8.343
90; 97.77; 90
2819.1Liu, Ya-Hui; Lu, Li-Ping; Zhu, Miao-Li; Su, Feng
A three-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from biphenyl-3,4',5-tricarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands
Acta Crystallographica Section C, 2016, 72, 358-362
2020464 CIF
HKL
Paper
C40 H36 N2 O14 Zn2P c c a16.864; 11.067; 22.764
90; 90; 90
4248.5Liang, Feng-Lan; Ma, De-Yun; Qin, Liang
A hydrostable and twofold interpenetrating three-dimensional zinc‒organic framework with rob topology based on 4,4'-oxydibenzoate and 3,3'-dimethyl-4,4'-bipyridine ligands
Acta Crystallographica Section C, 2016, 72, 373-378
2020465 CIF
HKL
C5 H6 N2 O3P -14.874; 7.663; 8.325
66.97; 88.09; 87.07
285.7Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020466 CIF
HKL
C8 H11 N3 O5P 1 21/c 18.671; 12.394; 9.381
90; 90.17; 90
1008.2Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020467 CIF
HKL
C7 H10 N2 O5 SP 1 21/n 16.9341; 6.9015; 20.919
90; 96.604; 90
994.5Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020468 CIF
HKL
C9 H13 N3 O5P 1 21/n 111.7707; 6.1053; 15.271
90; 90.858; 90
1097.3Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020469 CIF
HKL
C8 H11 N3 O4 SP 1 21/c 110.1742; 11.4616; 9.9715
90; 104.318; 90
1126.7Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020470 CIF
HKL
C7 H10 N2 O4 S2P -17.0475; 8.9534; 9.2802
115.79; 95.753; 95.791
517.72Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388
2020471 CIF
HKL
C11 H16 N2 O6 SP -15.2819; 10.3542; 13.0071
89.377; 85.143; 77.7
692.51Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael
Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues
Acta Crystallographica Section C, 2016, 72, 379-388

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