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

作者信息

Fun Hoong-Kun, Jebas Samuel Robinson, Sujith K V, Patil P S, Kalluraya B, Muralidharan A, Dharmaprakash S M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 16;64(Pt 8):o1509. doi: 10.1107/S1600536808021636.

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 π-π inter-actions involving the triazole ring [centroid-centroid distance = 3.322 (2) Å].

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d413/2962136/c578bb696ff5/e-64-o1509-fig1.jpg

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