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8-羟基-5,7-二甲基喹啉-1-氯化铵二水合物

8-Hy-droxy-5,7-dimethyl-quinolin-1-ium chloride dihydrate.

作者信息

Thanigaimani Kaliyaperumal, Khalib Nuridayanti Che, Arshad Suhana, Razak Ibrahim Abdul

机构信息

School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o44. doi: 10.1107/S1600536812049495. Epub 2012 Dec 8.

DOI:10.1107/S1600536812049495
PMID:23476428
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588230/
Abstract

In the title hydrated salt, C11H12NO(+)·Cl(-)·2H2O, the quinoline ring system is essentially planar, with a maximum deviation of 0.005 (1) Å for all non-H atoms. In the crystal, the three components are linked by O-H⋯O, N-H⋯O, O-H⋯Cl and weak C-H⋯O hydrogen bonds, forming a layer structure parallel to the ac plane. The crystal structure is further stabilized by π-π stacking inter-actions, with centroid-centroid distances of 3.5213 (6) and 3.7176 (6) Å.

摘要

在标题水合盐C11H12NO(+)·Cl(-)·2H2O中,喹啉环系统基本呈平面状,所有非H原子的最大偏差为0.005 (1) Å。在晶体中,三种组分通过O-H⋯O、N-H⋯O、O-H⋯Cl和弱C-H⋯O氢键相连,形成平行于ac平面的层状结构。晶体结构通过π-π堆积相互作用进一步稳定,质心间距为3.5213 (6) 和3.7176 (6) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6ec/3588230/68a2e1c5a3cc/e-69-00o44-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6ec/3588230/057451ec4c17/e-69-00o44-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6ec/3588230/68a2e1c5a3cc/e-69-00o44-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6ec/3588230/057451ec4c17/e-69-00o44-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6ec/3588230/68a2e1c5a3cc/e-69-00o44-fig2.jpg

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