Fun Hoong-Kun, Liew Wei-Ching, Vijesh A M, Padaki Mahesh, Isloor Arun M
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1910-1. doi: 10.1107/S1600536809027275.
The asymmetric unit of the title compound, C(10)H(12)N(4)OS, contains two independent mol-ecules, A and B, which differ significantly in the relative orientations of the benzene and triazole rings. The dihedral angle between the above two rings is 6.94 (5)° in mol-ecule A and 77.60 (5)° in mol-ecule B. In the crystal, mol-ecules are linked into a three-dimensional network by N-H⋯S, N-H⋯O, N-H⋯N and C-H⋯S hydrogen bonds and π-π inter-actions between the benzene and triazole rings [centroid-centroid distance = 3.5311 (6) Å] are also present.
标题化合物C(10)H(12)N(4)OS的不对称单元包含两个独立分子,A和B,它们在苯环和三唑环的相对取向上有显著差异。上述两个环之间的二面角在分子A中为6.94 (5)°,在分子B中为77.60 (5)°。在晶体中,分子通过N-H⋯S、N-H⋯O、N-H⋯N和C-H⋯S氢键连接成三维网络,并且苯环和三唑环之间还存在π-π相互作用[质心-质心距离 = 3.5311 (6) Å]。