Mafud Ana C, Mascarenhas Yvonne P, Nascimento Alessandro S
Instituto de Física de São Carlos, Av. do Trab. Sãocarlense, 400, São Carlos, SP, Brazil.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):o759. doi: 10.1107/S160053681300980X. Print 2013 May 1.
In the title compound, C10H10N4O2S2, the tetra-zole and benzene rings are almost normal to one another, with a dihedral angle between their planes of 84.33 (9)°. In the crystal, mol-ecules are linked via pairs of bifurcated O-H⋯(N,N) hydrogen bonds, forming inversion dimers with graph-set motif R 4 (4)(12). The dimers are linked by significant π-π inter-actions involving inversion-related tetra-zole rings and inversion-related benzene rings, with centroid-centroid distances of 3.7376 (14) and 3.8444 (15) Å, respectively.
在标题化合物C₁₀H₁₀N₄O₂S₂中,四唑环和苯环彼此几乎垂直,它们平面之间的二面角为84.33 (9)°。在晶体中,分子通过成对的分叉O-H⋯(N,N)氢键相连,形成具有R 4 (4)(12)图形集 motif的反演二聚体。这些二聚体通过涉及反演相关的四唑环和反演相关的苯环的显著π-π相互作用相连,质心间距分别为3.7376 (14) Å和3.8444 (15) Å。