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[3-(5-羟基-5H-二苯并[a,d]环庚烯-5-基)丙基]二甲基铵 3-羧基丙烯酸酯

[3-(5-Hy-droxy-5H-dibenzo[a,d]cyclo-hepten-5-yl)prop-yl]dimethyl-ammonium 3-carboxyprop-2-enoate.

作者信息

Jasinski Jerry P, Golen James A, Siddegowda M S, Yathirajan H S, Narayana B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2600-1. doi: 10.1107/S1600536811036257. Epub 2011 Sep 14.

DOI:10.1107/S1600536811036257
PMID:22058751
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3201273/
Abstract

In the cation of the title salt, C(20)H(24)NO(+)·C(4)H(3)O(4) (-), the N atom in the dimethyl-ammonium group is protonated. The dihedral angle between the mean planes of the two six-membered rings fused to the cyclo-hepten-5-yl ring is 54.4 (1)°. An intra-molecular O-H⋯O hydrogen bond occurs in the anion. The crystal packing is stabilized by inter-molecular O-H⋯O and N-H⋯(O,O) hydrogen bonds and weak C-H⋯O inter-actions, forming a two-dimensional network.

摘要

在标题盐C(20)H(24)NO(+)·C(4)H(3)O(4) (-)的阳离子中，二甲基铵基团中的N原子被质子化。与环庚烯-5-基环稠合的两个六元环的平均平面之间的二面角为54.4 (1)°。阴离子中存在分子内O-H⋯O氢键。晶体堆积通过分子间O-H⋯O和N-H⋯(O,O)氢键以及弱的C-H⋯O相互作用得以稳定，形成二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cdb1/3201273/015a574a5bc5/e-67-o2600-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cdb1/3201273/16a48e401390/e-67-o2600-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cdb1/3201273/015a574a5bc5/e-67-o2600-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cdb1/3201273/16a48e401390/e-67-o2600-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cdb1/3201273/015a574a5bc5/e-67-o2600-fig2.jpg

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