N-(叔丁基氧碳基)甘酰基-(Z)-β-溴脱氢丙氨酸甲酯的晶体结构[Boc-Gly-(β-Br)((Z))ΔAla-OMe]。

IF 0.9 Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-29 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814025677

Paweł Lenartowicz, Maciej Makowski, Bartosz Zarychta, Krzysztof Ejsmont

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引用次数: 2

摘要

标题化合物C11H17BrN2O5是一个在α-和β-原子之间具有C=C键的脱氢氨基酸。氨基酸残基彼此反式连接，没有很强的分子内氢键。扭转角表明分子的非螺旋构象。二肽折叠受到分子间N-H⋯O氢键的影响，也使空间排斥最小化。在晶体中，分子由强N-H⋯O氢键连接，产生(001)片。薄片由弱的C-H⋯O和C-H⋯Br键和短的Br⋯Br [3.4149 (3) Å]相互作用连接。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Crystal structure of N-(tert-but-oxy-carbon-yl)glycyl-(Z)-β-bromo-dehydro-alanine methyl ester [Boc-Gly-(β-Br)((Z))ΔAla-OMe].

The title compound, C11H17BrN2O5, is a de-hydro-amino acid with a C=C bond between the α- and β-C atoms. The amino acid residues are linked trans to each other and there are no strong intra-molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol-ecule. The dipeptide folding is influenced by an inter-molecular N-H⋯O hydrogen bond and also minimizes steric repulsion. In the crystal, mol-ecules are linked by strong N-H⋯O hydrogen bonds, generating (001) sheets. The sheets are linked by weak C-H⋯O and C-H⋯Br bonds and short Br⋯Br [3.4149 (3) Å] inter-actions.

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来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

审稿时长

1.3 months

期刊介绍： Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.