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Crystal structure of 4-[(E)-(4-chloro-benzyl-idene)amino]-3-(2-methyl-benz-yl)-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the title mol-ecule, C17H15ClN4S, the benzene rings form dihedral angles of 16.6?(1) and 77.2?(1)° with the triazole ring. The dihedral angle between the benzene rings is 86.6?(1)°. In the crystal, pairs of N-H?S hydrogen bonds form inversion dimers with graph-set notation R 2 (2)(8). Weak C-H?S hydrogen bonds link these dimers into layers parallel to (100). Weak intra-molecular C-H?S and C-H?N contacts are observed.

SUBMITTER: Kamni

PROVIDER: S-EPMC4186062 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 4-[(E)-(4-chloro-benzyl-idene)amino]-3-(2-methyl-benz-yl)-1H-1,2,4-triazole-5(4H)-thione.

Kamni Sarojini B K BK Manjula P S PS Narayana B B Anthal Sumati S Kant Rajni R

Acta crystallographica. Section E, Structure reports online 20140816 Pt 9

In the title mol-ecule, C17H15ClN4S, the benzene rings form dihedral angles of 16.6 (1) and 77.2 (1)° with the triazole ring. The dihedral angle between the benzene rings is 86.6 (1)°. In the crystal, pairs of N-H⋯S hydrogen bonds form inversion dimers with graph-set notation R 2 (2)(8). Weak C-H⋯S hydrogen bonds link these dimers into layers parallel to (100). Weak intra-molecular C-H⋯S and C-H⋯N contacts are observed. ...[more]

PMID: 25309199

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