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(R)-(3-羧基-2-羟基丙基)三甲基氯化铵

(R)-(3-Carb-oxy-2-hy-droxy-prop-yl)tri-methyl-aza-nium chloride.

作者信息

Ng Seik Weng

机构信息

Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia , and Chemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1416. doi: 10.1107/S160053681201598X. Epub 2012 Apr 18.

DOI:10.1107/S160053681201598X
PMID:22590302
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344540/
Abstract

In the title salt (common name l-carnitine hydro-chloride), C(7)H(16)NO(3) (+)·Cl(-), the organic cation features a carb-oxy-lic part (-CO(2)H) having unambigous single- and double-bonds [1.336 (2), 1.211 (2) Å]. There is a large N-C-C bond angle [115.9 (1)°] for the C atom connected to the bulky trimethyl-amino substituent. In the crystal, the acid H atom forms a hydrogen bond to the chloride anion, whereas the hydroxyl H atom forms a longer hydrogen bond to the anion, generating a helical chain running along [001].

摘要

在标题盐(通用名L-肉碱盐酸盐)C₇H₁₆NO₃⁺·Cl⁻中,有机阳离子的羧酸部分(-CO₂H)具有明确的单键和双键[1.336(2),1.211(2) Å]。与庞大的三甲氨基取代基相连的C原子的N-C-C键角较大[115.9(1)°]。在晶体中,酸性H原子与氯离子阴离子形成氢键,而羟基H原子与阴离子形成更长的氢键,形成沿[001]方向延伸的螺旋链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/920f/3344540/8085e7a933e7/e-68-o1416-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/920f/3344540/8085e7a933e7/e-68-o1416-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/920f/3344540/8085e7a933e7/e-68-o1416-fig1.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
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