Li Yu-Long, Sun Hong-Shun, Jiang Hong, Chen Yu-Liang, Chen Yang-Feng
Targeted MRI Contrast Agents Laboratory of Jiangsu Province, Nanjing Polytechnic Institute, Geguan Road No. 265 Nanjing, Nanjing 210048, People's Republic of China.
Acta Crystallogr E Crystallogr Commun. 2017 Nov 3;73(Pt 12):1817-1819. doi: 10.1107/S2056989017015730. eCollection 2017 Dec 1.
In the title compound, CHClNO, the mean planes of the two indole ring systems (r.m.s. deviations = 0.1249 and 0.0075 Å) are approximately perpendic-ular to one another, with a dihedral angle of 80.9 (5)° between them. The benzene ring is inclined to the mean planes of the two indole ring systems by 76.1 (3) and 78.3 (4)°. Weak intra-molecular C-H⋯π inter-actions affect the mol-ecular conformation. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers which are further linked into supra-molecular chains by N-H⋯O hydrogen bonds and short Cl-Cl contacts.
在标题化合物CHClNO中，两个吲哚环系统的平均平面（均方根偏差分别为0.1249和0.0075 Å）彼此大致垂直，它们之间的二面角为80.9 (5)°。苯环相对于两个吲哚环系统的平均平面倾斜角度分别为76.1 (3)°和78.3 (4)°。弱分子内C-H⋯π相互作用影响分子构象。在晶体中，N-H⋯O氢键对将分子连接成反向二聚体，这些二聚体通过N-H⋯O氢键和短的Cl-Cl接触进一步连接成超分子链。
