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8-{[3-(3-甲氧基苯基)-1,2,4-恶二唑-5-基]甲氧基}喹啉一水合物

8-{[3-(3-Meth-oxy-phen-yl)-1,2,4-oxa-diazol-5-yl]meth-oxy}quinoline monohydrate.

作者信息

Shen Hong, Bai Shu-Yuan, Han Xin-Yi, Li Xiang-Zhi, Wang Hai-Bo

机构信息

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.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):o760. doi: 10.1107/S1600536813010271. Print 2013 May 1.

Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e42/3648286/6a32eebf2b6c/e-69-0o760-fig1.jpg

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