Cai Xing-Wei, Lu Hong-Fei
School of Biological and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang, Jiangsu 212003, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1555. doi: 10.1107/S1600536811019799. Epub 2011 May 28.
The title structure, C(6)H(4)N(2)·C(8)H(8)O(2), is built up from an assembly of isonicotinonitrile and 4-methyl-benzoic acid mol-ecules and may be regarded as a co-crystal. The two planar mol-ecules [r.m.s. deviations of 0.002 (6) and 0.0028 (11) Å, respectively] are linked by O-H⋯N and C-H⋯O hydrogen bonds. They are nearly coplanar and only twisted from each other by a dihedral angle of 2.48 (6)°. In the crystal, the components are inter-connected by slipped π-π stacking [centroid-centroid distance = 3.6797 (11), slippage = 1.304 Å] and inter-molecular C-H⋯N inter-actions.
标题结构C(6)H(4)N(2)·C(8)H(8)O(2)由异烟腈和4-甲基苯甲酸分子组装而成，可视为一种共晶体。两个平面分子[均方根偏差分别为0.002 (6) Å和0.0028 (11) Å]通过O-H⋯N和C-H⋯O氢键相连。它们几乎共面，彼此仅扭转了2.48 (6)°的二面角。在晶体中，各组分通过滑移π-π堆积[质心-质心距离 = 3.6797 (11) Å，滑移 = 1.304 Å]和分子间C-H⋯N相互作用相互连接。
