Subbulakshmi Karanth N, Narayana Badiadka, Yathirajan Hemmige S, Jasinski Jerry P, Rathore Ravindranath S, Glidewell Christopher
Department of Chemistry, Mangalore University, Mangalagangothri 574 199, DK, Mangalore, India.
Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysuru 570 006, India.
Acta Crystallogr E Crystallogr Commun. 2016 Jul 12;72(Pt 8):1099-102. doi: 10.1107/S2056989016010975. eCollection 2016 Aug 1.
In the title compound, C21H17N3O3S, the non-H atoms, apart from those in the benzoyl group, are almost coplanar (r.m.s. deviation = 0.049 Å) and the benzoyl group is almost orthogonal to the plane of the rest of the mol-ecule [dihedral angle = 80.34 (6)°]. In the crystal, a combination of N-H⋯O and asymmetric bifurcated O-H⋯(N,O) hydrogen bonds link the mol-ecules into a three-dimensional network. Weak C-H⋯O inter-actions are also observed.
在标题化合物C₂₁H₁₇N₃O₃S中，除苯甲酰基中的原子外，非氢原子几乎共面（均方根偏差 = 0.049 Å），且苯甲酰基几乎与分子其余部分的平面正交[二面角 = 80.34(6)°]。在晶体中，N—H⋯O和不对称分叉O—H⋯(N,O)氢键的组合将分子连接成三维网络。还观察到弱的C—H⋯O相互作用。
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