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Title: | 4-(5-Chloro-2-methylphenyl)-1-[2-oxo-5- (trifluoromethoxy)indolin-3-ylidene]thio semicarbazide |
Authors: | Pervez, Humayun Iqbal, Mohammad S. Saira, Naveeda Yaqub, Muhammad Tahir, M. Nawaz |
Keywords: | single-crystal X-ray study; T = 296 K; mean (C–C) = 0.005 A˚; R factor = 0.051; wR factor = 0.145; data-to-parameter ratio = 13.5 |
Issue Date: | 21-Apr-2010 |
Publisher: | Acta Crystallographica Section E: Structure Reports Online |
Citation: | Pervez, Humayun, et al. "4-(5-Chloro-2-methylphenyl)-1-[2-oxo-5-(trifluoromethoxy) indolin-3-ylidene] thiosemicarbazide." Acta Crystallographica Section E: Structure Reports Online 66.5 (2010): o1169-o1170. |
Abstract: | The asymmetric unit of the title compound, C17H12ClF3N4O2S, contains two molecules, which differ in their planarity and hydrogen bonding. In one molecule, the 2-oxoindolin (C8/N/O A), thiosemicarbazide (N3/C/S B) and 5-chloro-2-methyl phenyl (C7/Cl C) units are planar with r.m.s. deviations of 0.0110, 0.0173 and 0.0259 A˚ , respectively. The dihedral angles A/B, B/C and A/C are 1.74 (15), 40.70 (13) and 41.00 (11) , respectively. In the other molecule the deviations are 0.0455, 0.0007 and 0.0143 A˚ , respectively, and the dihedral angles are 5.01 (14), 4.53 (16) and 3.38 (13) , respectively. In both molecules, intramolecular N—H N and N—H O hydrogen bonds form S(5) and S(6) ring motifs, respectively and C—H S interactions occur. In one of the molecules, an intramolecular C—H F interaction is also present. In the crystal, the molecules are linked by N—H O, C—H F, C— H O and N—H S hydrogen bonding, forming a polymeric network. |
URI: | http://202.142.177.21/handle/123456789/2223 |
Appears in Collections: | Chemistry Department |
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AC(E)2010(3).pdf | 674.4 kB | Adobe PDF | View/Open |
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