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3-{[5-(4-Chloro-phen-yl)-3-methyl-1H-pyrazol-1-yl]meth-yl}-4-m-tolyl-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the title compound, C20H18ClN5S, the toluene and triazole rings are oriented almost perpendicular to each other, making a dihedral angle of 89.97?(9)°, whereas the dihedral angle between cholorophenyl and pyrazole rings is 54.57?(11)°. In the crystal, pairs of N-H?N hydrogen bonds link the mol-ecules into inversion dimers. Weaker C-H?S and C-H?Cl inter-actions are also present.

SUBMITTER: Farrukh MA

PROVIDER: S-EPMC3685083 | biostudies-other | 2013 Jun

REPOSITORIES: biostudies-other

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3-{[5-(4-Chloro-phen-yl)-3-methyl-1H-pyrazol-1-yl]meth-yl}-4-m-tolyl-1H-1,2,4-triazole-5(4H)-thione.

Farrukh Muhammad A MA Ahmed Maqsood M Mohamed Shaaban K SK Marzouk Adel A AA El-Moghazy Samir M SM

Acta crystallographica. Section E, Structure reports online 20130522 Pt 6

In the title compound, C20H18ClN5S, the toluene and triazole rings are oriented almost perpendicular to each other, making a dihedral angle of 89.97 (9)°, whereas the dihedral angle between cholorophenyl and pyrazole rings is 54.57 (11)°. In the crystal, pairs of N-H⋯N hydrogen bonds link the mol-ecules into inversion dimers. Weaker C-H⋯S and C-H⋯Cl inter-actions are also present. ...[more]

PMID: 23795102

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