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3-{4-[(2-Hy-droxy-benzyl-idene)amino]-3-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl-propan-1-one.

ABSTRACT: There are two crystallographically independent mol-ecules (A and B) in the asymmetric unit of the title compound, C(25)H(22)N(4)O(2)S, with almost identical mol-ecular conformations. The hy-droxy-phenyl ring plane and the 1,2,4-triazole ring form dihedral angles of 17.1?(2) and 7.4?(2)° in A and B, respectively. The dihedral angles between 1,2,4-triazole ring and the other two phenyl rings are 89.6?(3) and 83.3?(2)° in mol-ecule A, and 89.2?(3) and 82.2?(2)° in mol-ecule B. One intra-molecular O-H?N hydrogen bond is present in each mol-ecule. Weak inter-molecular C-H?O hydrogen bonds consolidate the crystal packing.

SUBMITTER: Wang W 

PROVIDER: S-EPMC3200874 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

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3-{4-[(2-Hy-droxy-benzyl-idene)amino]-3-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl-propan-1-one.

Wang Wei W   Gao Yan Y   Zhang Jing-Jing JJ   Jia Xiao-Yu XY   Wu Wen-Peng WP  

Acta crystallographica. Section E, Structure reports online 20110831 Pt 9

There are two crystallographically independent mol-ecules (A and B) in the asymmetric unit of the title compound, C(25)H(22)N(4)O(2)S, with almost identical mol-ecular conformations. The hy-droxy-phenyl ring plane and the 1,2,4-triazole ring form dihedral angles of 17.1 (2) and 7.4 (2)° in A and B, respectively. The dihedral angles between 1,2,4-triazole ring and the other two phenyl rings are 89.6 (3) and 83.3 (2)° in mol-ecule A, and 89.2 (3) and 82.2 (2)° in mol-ecule B. One intra-molecular O  ...[more]

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