Shen Hong, Bai Shu-Yuan, Han Xin-Yi, Li Xiang-Zhi, Wang Hai-Bo
College of Food Science and Light Industry, Nanjing University of Technology, Xinmofan Road No. 5 Nanjing, Nanjing 210009, People's Republic of China ; College of Science, Nanjing University of Technology, Xinmofan Road No. 5 Nanjing, Nanjing 210009, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):o760. doi: 10.1107/S1600536813010271. Print 2013 May 1.
In the title hydrate, C19H15N3O3·H2O, the three aromatic groups in the quinoline derivative are close to coplanar: the central oxa-diazole fragment makes dihedral angles of 15.7 (2)° with the benzene ring and 5.30 (14)° with the quinoline ring system. In the crystal, the organic mol-ecules are connected with water mol-ecules by pairs of O-H⋯N hydrogen bonds involving the quinoline and oxa-diazole N atoms. The mol-ecules form stacks along the a axis, neighboring mol-ecules within each stack being related by inversion and the shortest distance between the centroids of the oxa-diazole and pyridine rings being 3.500 (2) Å. Mol-ecules from neighboring stacks are linked by weak C-H⋯O hydrogen bonds, forming a three-dimensional structure.
在标题水合物C19H15N3O3·H2O中,喹啉衍生物中的三个芳基接近共平面:中心恶二唑片段与苯环的二面角为15.7 (2)°,与喹啉环系的二面角为5.30 (14)°。在晶体中,有机分子通过涉及喹啉和恶二唑N原子的O-H⋯N氢键对与水分子相连。分子沿a轴形成堆积,每个堆积内的相邻分子通过倒反相关,恶二唑和吡啶环质心之间的最短距离为3.500 (2) Å。相邻堆积中的分子通过弱C-H⋯O氢键相连,形成三维结构。