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3-[1-(4-Isobutyl-phen-yl)eth-yl]-4-[(E)-4-methyl-benzyl-ideneamino]-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the title compound, C(22)H(26)N(4)S, the dihedral angles formed by the triazole ring with the two benzene rings are 87.51 (3) and 20.98 (3)°. The benzene rings are inclined at 71.88 (2)°. An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. The crystal packing is strengthened by inter-molecular N-H⋯S hydrogen bonding and π-π stacking inter-actions between the triazole and benzene rings, with a centroid-centroid distance of 3.6618 (5) Å, together with N⋯N [2.1299 (9)-2.2121 (9) Å] short contacts and C-H⋯π inter-actions. In the crystal packing, mol-ecules are stacked along the a axis.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2960079 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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3-[1-(4-Isobutyl-phen-yl)eth-yl]-4-[(E)-4-methyl-benzyl-ideneamino]-1H-1,2,4-triazole-5(4H)-thione.

Fun Hoong-Kun HK Jebas Samuel Robinson SR Sujith K V KV Kalluraya B B

Acta crystallographica. Section E, Structure reports online 20081113 Pt 12

In the title compound, C(22)H(26)N(4)S, the dihedral angles formed by the triazole ring with the two benzene rings are 87.51 (3) and 20.98 (3)°. The benzene rings are inclined at 71.88 (2)°. An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. The crystal packing is strengthened by inter-molecular N-H⋯S hydrogen bonding and π-π stacking inter-actions between the triazole and benzene rings, with a centroid-centroid distance of 3.6618 (5) Å, together with N⋯N [2.1299 (9)-2.2121 (9) ...[more]

PMID: 21581290

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