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Open AccessArticle10.1107/s1600536809018030

4-[(<i>E</i>)-4-Bromobenzylideneamino]-3-[1-(4-isobutylphenyl)ethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione

Hoong‐Kun Fun,S.R. Jebas,Sujith Kalluri,Balakrishna Kalluraya-2009-05-20-Acta Crystallographica Section E Structure Reports Online

TL;DRAbstract

In the title compound, C(21)H(23)BrN(4)S, the 4-bromo-benzyl-idene group is disordered over two orientations with occupancies of 0.504 (5) and 0.496 (5). One of the methyl groups of the isobutyl unit is disordered over two sites with occupancies of 0.751 (19) and 0.249 (19). The benzene rings of the isobutylphenyl and bromo-phenyl (major disorder component) groups form dihedral angles of 71.63 (11) and 21.8 (3)°, respectively, with the triazole ring. In the crystal, centrosymmetrically related mol-ecules exist as centrosymmetric N-H⋯S hydrogen-bonded dimers.

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In the title compound, C(21)H(23)BrN(4)S, the 4-bromo-benzyl-idene group is disordered over two orientations with occupancies of 0.504 (5) and 0.496 (5). One of the methyl groups of the isobutyl unit is disordered over two sites with occupancies of 0.751 (19) and 0.249 (19). The benzene rings of the isobutylphenyl and bromo-phenyl (major disorder component) groups form dihedral angles of 71.63 (11) and 21.8 (3)°, respectively, with the triazole ring. In the crystal, centrosymmetrically related mol-ecules exist as centrosymmetric N-H⋯S hydrogen-bonded dimers.

Keywords

Chemistry1,2,4-TriazoleMedicinal chemistryTriazoleStereochemistryOrganic chemistry

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