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5-Methyl-1,3-diphenyl-N-(5-phenyl-1,3,4-thia-diazol-2-yl)-1H-pyrazole-4-carboxamide.

ABSTRACT: The asymmetric unit of the title compound C25H19N5OS, contains two mol-ecules, A and B. In mol-ecule A, the dihedral angles between the pyrazole ring and the C-bound phenyl group, the N-bound phenyl group and the thia-diazole ring are 32.30?(14), 52.25?(14) and 34.94?(12)°, respectively. The corresponding angles in mol-ecule B are 33.32?(14), 50.67?(15), and 70.30?(12)°, respectively. In the crystal, the A and B mol-ecules are linked by pairs of N-H?N hydrogen bonds, generating R 2 (2)(8) loops. This dimer linkage is reinforced by two C-H?O hydrogen bonds and one C-H?N hydrogen bond.

SUBMITTER: Chandra 

PROVIDER: S-EPMC3885020 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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5-Methyl-1,3-diphenyl-N-(5-phenyl-1,3,4-thia-diazol-2-yl)-1H-pyrazole-4-carboxamide.

Chandra   Mahesh S S SS   Srikantamurthy N N   Umesha K B KB   Palani K K   Mahendra M M  

Acta crystallographica. Section E, Structure reports online 20131106 Pt 12

The asymmetric unit of the title compound C25H19N5OS, contains two mol-ecules, A and B. In mol-ecule A, the dihedral angles between the pyrazole ring and the C-bound phenyl group, the N-bound phenyl group and the thia-diazole ring are 32.30 (14), 52.25 (14) and 34.94 (12)°, respectively. The corresponding angles in mol-ecule B are 33.32 (14), 50.67 (15), and 70.30 (12)°, respectively. In the crystal, the A and B mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, generating R 2 (2)(8) loops.  ...[more]

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