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

ABSTRACT: In the title mol-ecule, C(10)H(9)BrN(4)S, the dihedral angle between the triazole and benzene rings is 12.32?(19)°. An intra-molecular C-H?S hydrogen bond generates an S(6) ring motif. In the crystal packing, centrosymmetrically related mol-ecules are linked into a dimer by N-H?S hydrogen bonds, and the dimers are linked into a chain running along [11] by Br?N short contacts [3.187?(3)?Å]. The crystal packing is further strengthened by ?-? inter-actions involving the triazole ring [centroid-centroid distance = 3.322?(2)?Å].

SUBMITTER: Fun HK

PROVIDER: S-EPMC2962136 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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

Fun Hoong-Kun HK Jebas Samuel Robinson SR Sujith K V KV Patil P S PS Kalluraya B B Muralidharan A A Dharmaprakash S M SM

Acta crystallographica. Section E, Structure reports online 20080716 Pt 8

In the title mol-ecule, C(10)H(9)BrN(4)S, the dihedral angle between the triazole and benzene rings is 12.32 (19)°. An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. In the crystal packing, centrosymmetrically related mol-ecules are linked into a dimer by N-H⋯S hydrogen bonds, and the dimers are linked into a chain running along [11] by Br⋯N short contacts [3.187 (3) Å]. The crystal packing is further strengthened by π-π inter-actions involving the triazole ring [centroid-cent ...[more]

PMID: 21203218

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