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[2-(3,4-二甲氧基苯基)乙基](3-{N-[2-(3,4-二甲氧基苯基)乙基]氨基甲酰基}丙基)氯化铵二水合物

[2-(3,4-Di-meth-oxy-phen-yl)eth-yl](3-{N-[2-(3,4-di-meth-oxy-phen-yl)eth-yl]carbamo-yl}prop-yl)aza-nium chloride dihydrate.

作者信息

Saidov Abdusalom Sh, Turgunov Kambarali K

机构信息

S. Yunusov Institute of the Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek Str. 77, Tashkent 100170, Uzbekistan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 31;70(Pt 2):o232. doi: 10.1107/S1600536814001998. eCollection 2014 Feb 1.

DOI:10.1107/S1600536814001998
PMID:24764930
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998369/
Abstract

The asymmetric unit of the title hydrated salt, C24H35N2O5 (+)·Cl(-)·2H2O, contains one organic cation that has its protonation site at the amine function, one chloride anion and two lattice water mol-ecules. In the crystal, one pair of lattice water mol-ecules and two chloride anions form a four-membered centrosymmetric hydrogen-bond cycle. In addition, O-H⋯O, N-H⋯O and N-H⋯Cl hydrogen bonds involving the N-H groups, the water mol-ecules and the C=O group are observed. As a result, a hydrogen-bonded layer parallel to (100) is formed. The thickness of such a layer corresponds to the length of the a axis [21.977 (3) Å].

摘要

标题水合盐C24H35N2O5(+)·Cl(-)·2H2O的不对称单元包含一个质子化位点在胺官能团上的有机阳离子、一个氯离子阴离子和两个晶格水分子。在晶体中,一对晶格水分子和两个氯离子阴离子形成一个中心对称的四元氢键环。此外,还观察到涉及N-H基团、水分子和C=O基团的O-H⋯O、N-H⋯O和N-H⋯Cl氢键。结果,形成了一个平行于(100)的氢键层。这样一层的厚度对应于a轴的长度[21.977 (3) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1fe/3998369/dc4d566de970/e-70-0o232-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1fe/3998369/08b7304321af/e-70-0o232-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1fe/3998369/dc4d566de970/e-70-0o232-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1fe/3998369/08b7304321af/e-70-0o232-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1fe/3998369/dc4d566de970/e-70-0o232-fig2.jpg

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