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3-Benzamidomethyl-4-[(E)-2-chloro-benzyl-ideneamino]-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the title compound, C(17)H(14)ClN(5)OS, the dihedral angles formed by the two benzene rings with the triazole ring are 66.88 (3) and 19.16 (3)°, and the benzene rings are inclined to each other with a dihedral angle of 78.40 (3)°. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the (100) planes, and centrosymmetric π-π stacking inter-actions [centroid-centroid distance = 3.7717 (5) Å] are formed between benzene rings in neighbouring layers.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2967963 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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3-Benzamidomethyl-4-[(E)-2-chloro-benzyl-ideneamino]-1H-1,2,4-triazole-5(4H)-thione.

Fun Hoong-Kun HK Jebas Samuel Robinson SR Rao Jyothi N JN Kalluraya B B

Acta crystallographica. Section E, Structure reports online 20081210 Pt 1

In the title compound, C(17)H(14)ClN(5)OS, the dihedral angles formed by the two benzene rings with the triazole ring are 66.88 (3) and 19.16 (3)°, and the benzene rings are inclined to each other with a dihedral angle of 78.40 (3)°. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the (100) planes, and centrosymmetric π-π stacking inter-actions [centroid-centroid distance = 3.7717 (5) Å] are formed between benzene rings in neighbouring layers. ...[more]

PMID: 21581689

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