Zhang Jian, Xiahou Guo-Lun, Zhang Sheng-Sen, Zeng Jing
College of Pharmacy, Gannan Medical University, Ganzhou, Jiangxi 341000, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1695-6. doi: 10.1107/S1600536809023733.
The crystal of the title Schiff base compound, C(20)H(18)ClN(3)O(3)·H(2)O, was twinned by a twofold rotation about (100). The asymmetric unit contains two crystallographically independent mol-ecules with similar conformations, and two water mol-ecules. The C=N-N angles of 115.7 (6) and 116.2 (6)° are significantly smaller than the ideal value of 120° expected for sp(2)-hybridized N atoms and the dihedral angles between the benzene ring and quinoline ring system in the two mol-ecules are 52.5 (7) and 53.9 (7)°. The mol-ecules aggregate via C-Cl⋯π and π-π inter-actions [centroid-centroid distances = 3.696 (5)-3.892 (5) Å] and weak C-H⋯O inter-actions as parallel sheets, which are further linked by water mol-ecules through N-H⋯O and O-H⋯O hydrogen bonds into a supra-molecular two-dimensional network.
标题席夫碱化合物C(20)H(18)ClN(3)O(3)·H(2)O的晶体通过围绕(100)的二次旋转形成孪晶。不对称单元包含两个具有相似构象的晶体学独立分子和两个水分子。C=N-N角为115.7 (6)°和116.2 (6)°,明显小于sp(2)杂化N原子预期的理想值120°,并且两个分子中苯环与喹啉环系统之间的二面角为52.5 (7)°和53.9 (7)°。分子通过C-Cl⋯π和π-π相互作用[质心-质心距离 = 3.696 (5)-3.892 (5) Å]以及弱C-H⋯O相互作用聚集形成平行片层,这些片层通过水分子通过N-H⋯O和O-H⋯O氢键进一步连接成超分子二维网络。