Gotoh Kazuma, Ishida Hiroyuki
Department of Chemistry, Faculty of Science, Okayama University, Okayama 700-8530, Japan.
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3222. doi: 10.1107/S1600536811046113. Epub 2011 Nov 9.
In the title co-crystal, 2C(7)H(4)ClNO(4)·C(4)H(4)N(2), the pyrazine mol-ecule is located on an inversion centre, so that the asymmetric unit consists of one mol-ecule of 4-chloro-2-nitro-benzoic acid and a half-mol-ecule of pyrazine. The components are connected by O-H⋯N and C-H⋯O hydrogen bonds, forming a 2:1 unit. In the hydrogen-bonded unit, the dihedral angle between the pyrazine ring and the benzene ring of the benzoic acid is 16.55 (4)°. The units are linked by inter-molecular C-H⋯O hydrogen bonds, forming a sheet structure parallel to ([Formula: see text]04). A C-H⋯O hydrogen-bond linkage is also observed between these sheets.
在标题共晶体2C(7)H(4)ClNO(4)·C(4)H(4)N(2)中,吡嗪分子位于一个对称中心上,因此不对称单元由一个4-氯-2-硝基苯甲酸分子和半个吡嗪分子组成。各组分通过O-H⋯N和C-H⋯O氢键相连,形成一个2:1单元。在氢键单元中,吡嗪环与苯甲酸苯环之间的二面角为16.55 (4)°。这些单元通过分子间C-H⋯O氢键相连,形成一个平行于([化学式:见原文]04)的层状结构。在这些层之间也观察到C-H⋯O氢键连接。