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（E）-3-[4-（二甲基氨基）苯基]-1-（2-甲基-4-苯基喹啉-3-基）丙-2-烯-1-酮0.7水合物

(E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one 0.7-hydrate.

作者信息

Loh Wan-Sin, Fun Hoong-Kun, Sarveswari S, Vijayakumar V, Prasath R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1521-2. doi: 10.1107/S1600536811019088. Epub 2011 May 25.

DOI:10.1107/S1600536811019088
PMID:21754884
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120557/
Abstract

In the title compound, C(27)H(24)N(2)O·0.7H(2)O, the quinoline ring system is approximately planar, with a maximum deviation of 0.011 (1) Å, and forms dihedral angles of 74.70 (4) and 80.14 (4)° with the phenyl and benzene rings, respectively. In the crystal, the mol-ecules are linked to the water mol-ecules via inter-molecular O-H⋯N hydrogen bonds and further stabilized by C-H⋯π inter-actions involving the centroid of the benzene ring of the quinoline group. This benzene ring is observed to form a π-π inter-action with an adjacent pyridine ring [centroid-centroid distance = 3.7120 (6) Å].

摘要

在标题化合物C(27)H(24)N(2)O·0.7H(2)O中，喹啉环系近似平面，最大偏差为0.011 (1) Å，分别与苯环和苯基环形成74.70 (4)°和80.14 (4)°的二面角。在晶体中，分子通过分子间O-H⋯N氢键与水分子相连，并通过涉及喹啉基团苯环质心的C-H⋯π相互作用进一步稳定。观察到该苯环与相邻吡啶环形成π-π相互作用[质心-质心距离 = 3.7120 (6) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/892e/3120557/79b0009cbe41/e-67-o1521-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/892e/3120557/fdd1f9cea420/e-67-o1521-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/892e/3120557/79b0009cbe41/e-67-o1521-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/892e/3120557/fdd1f9cea420/e-67-o1521-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/892e/3120557/79b0009cbe41/e-67-o1521-fig2.jpg

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