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A short history of SHELX.SHELX简史。
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2-氯-N-(3,4-二甲基苯基)乙酰胺

2-Chloro-N-(3,4-dimethyl-phen-yl)acetamide.

作者信息

Gowda B Thimme, Foro Sabine, Terao Hiromitsu, Fuess Hartmut

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 10;65(Pt 5):o1022. doi: 10.1107/S1600536809013051.

DOI:10.1107/S1600536809013051
PMID:21583843
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977707/
Abstract

The conformation of the C=O bond in the structure of the title compound, C(10)H(12)ClNO, is anti to the N-H bond and to the methyl-ene H atoms in the side chain in both the independent mol-ecules comprising the asymmetric unit. However, the conformation of the N-H bond is syn to the meta-methyl substituent in the aromatic ring of one of the mol-ecules and anti in the other mol-ecule. The two independent mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonding into chains parallel to the b axis.

摘要

在标题化合物C(10)H(12)ClNO的结构中，C=O键的构象在构成不对称单元的两个独立分子中均与N-H键以及侧链中的亚甲基H原子呈反式。然而，N-H键的构象在其中一个分子的芳环中与间位甲基取代基呈顺式，而在另一个分子中呈反式。这两个独立分子通过分子间N-H⋯O氢键连接成平行于b轴的链。