Cui Li-Jing, Chen Xin-Yuan
Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 27;66(Pt 3):o722. doi: 10.1107/S1600536810003442.
In the title 1:1 adduct, C(6)H(4)N(2)·C(7)H(6)O(2), the carboxyl group and its attached phenyl ring are essentially coplanar, being twisted from each other by a dihedral angle of only 2.05 (3)°. In the crystal, the mol-ecules are connected via O-H⋯N and C-H⋯O hydrogen bonds, building an R(2) (2)(7) ring. Mol-ecules are further linked through π-π inter-actions [centroid-centroid distance of 3.8431 (8) and 3.9094 (8) Å], leading to a one-dimensional chain parallel to the b axis.
在标题为1:1加合物C(6)H(4)N(2)·C(7)H(6)O(2)中，羧基及其相连的苯环基本共面，二者之间的二面角仅为2.05 (3)°。在晶体中，分子通过O-H⋯N和C-H⋯O氢键相连，形成一个R(2) (2)(7)环。分子还通过π-π相互作用进一步连接[质心-质心距离为3.8431 (8)和3.9094 (8) Å]，形成一条平行于b轴的一维链。
