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4-(5-Bromo-2-hydroxy-benzyl-idene-amino)-3-methyl-1H-1,2,4-triazole-5(4H)-thione.


ABSTRACT: In the title compound, C(10)H(9)BrN(4)OS, the triazole ring forms a dihedral angle of 72.05?(14)° with the benzene ring. The conformation of the mol-ecule is stabilized by intra-molecular O-H?·N hydrogen bonding. The crystal packing is determined by inter-molecular N-H?S inter-actions, a short Br?S contact of 3.4464?(13)?Å and ?-? stacking of the triazole rings and of the benzene rings (centroid-centroid distances of 3.4109 and 3.569?Å, respectively).

SUBMITTER: Wang M 

PROVIDER: S-EPMC2960248 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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4-(5-Bromo-2-hydroxy-benzyl-idene-amino)-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

Wang Min M   Cao Minna M   Hu Bo B   Cheng Cuixia C   Song Xuegang X  

Acta crystallographica. Section E, Structure reports online 20080104 Pt 2


In the title compound, C(10)H(9)BrN(4)OS, the triazole ring forms a dihedral angle of 72.05 (14)° with the benzene ring. The conformation of the mol-ecule is stabilized by intra-molecular O-H⋯·N hydrogen bonding. The crystal packing is determined by inter-molecular N-H⋯S inter-actions, a short Br⋯S contact of 3.4464 (13) Å and π-π stacking of the triazole rings and of the benzene rings (centroid-centroid distances of 3.4109 and 3.569 Å, respectively). ...[more]

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