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4-[(5-Bromo-2-hy-droxy-benzyl-idene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: The asymmetric unit of the title compound, C(12)H(13)BrN(4)OS, contains two independent mol-ecules in which the dihedral angles between the triazole and benzene rings are 2.9?(3) and 7.5?(3)°. The thione group is of the form R(2)C=S. An intra-molecular O-H?N hydrogen bond occurs in each mol-ecule. The crystal structure features weak N-H?S inter-actions and ?-? stacking of the benzene rings [centroid-centroid distance = 3.667?(3)?Å].

SUBMITTER: Wu X

PROVIDER: S-EPMC3379270 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

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4-[(5-Bromo-2-hy-droxy-benzyl-idene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione.

Wu Xin X Yuan Cai-Xia CX Ma Ling L Zhai Kai-Lu KL Zhu Miao-Li ML

Acta crystallographica. Section E, Structure reports online 20120512 Pt 6

The asymmetric unit of the title compound, C(12)H(13)BrN(4)OS, contains two independent mol-ecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°. The thione group is of the form R(2)C=S. An intra-molecular O-H⋯N hydrogen bond occurs in each mol-ecule. The crystal structure features weak N-H⋯S inter-actions and π-π stacking of the benzene rings [centroid-centroid distance = 3.667 (3) Å]. ...[more]

PMID: 22719468

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