Banu Noor Afshan, Bheema Raju V
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o441. doi: 10.1107/S1600536812000050. Epub 2012 Jan 18.
In the title compound, C(24)H(20)N(2)O(5)S·C(3)H(7)NO, a benzene ring is positioned axially to the pyrimidine ring, which adopts a twist-boat conformation, and is inclined to its mean plane by 85.36 (7)°. In the crystal, inter-molecular C-H⋯O inter-actions result in centrosymmetric head-to-head dimers with an R(2) (2)(14) graph-set motif along the b axis. Pairs of C-H⋯O and O-H⋯O hydrogen bonds form centrosymmetric head-to-head dimers about inversion centres, corresponding to an R(2) (2)(7) graph-set motif along the a axis.
在标题化合物C(24)H(20)N(2)O(5)S·C(3)H(7)NO中,一个苯环轴向位于嘧啶环上,嘧啶环呈扭船构象,且相对于其平均平面倾斜85.36 (7)°。在晶体中,分子间的C—H⋯O相互作用导致沿b轴形成具有R(2) (2)(14) 图集 motif的中心对称头对头二聚体。成对的C—H⋯O和O—H⋯O氢键围绕反演中心形成中心对称头对头二聚体,对应于沿a轴的R(2) (2)(7) 图集 motif。