Crystallographic rationalization of the reactivity and spectroscopic properties of (2R)-S-(2,5-dihydroxyphenyl)cysteine

被引：1

作者：

Kociok-Koehn, Gabriele ^{[1
]}

Lewis, Simon E. ^{[1
]}

机构：

[1] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 2010年 / 66卷

关键词：

AMINO-ACID; L-CYSTEINE; CRYSTAL-STRUCTURE; IDENTIFICATION; PEPTIDES; MODEL; ACETAMINOPHEN; BENZOQUINONE; METABOLITES; MONOHYDRATE;

D O I：

10.1107/S0108270110005780

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

At 150 K, the title compound, C(9)H(11)NO(4)S, crystallizes in the orthorhombic form as a zwitterion and has a low gauche conformation [chi = -46.23 (16)degrees] for an acyclic cysteine derivative. A difference in bond length is observed for the alkyl C-S bond [1.8299 (15) angstrom] and the aryl C-S bond [1.7760 (15) angstrom]. The -NH(3)(+) group is involved in four hydrogen bonds, two of which are intermolecular and two intramolecular. The compound forms an infinite three-dimensional network constructed from four intermolecular hydrogen bonds. Characterization data ((13)C NMR, IR and optical rotation) are reported to supplement the incomplete data disclosed previously in the literature.

引用

页码：O187 / O189

页数：3

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