2-叠氮- n-(2,6-二甲基苯基)乙酰胺的合成、晶体结构及Hirshfeld表面分析。

IF 0.6 Q4 CRYSTALLOGRAPHY
Abderrazzak El Moutaouakil Ala Allah , Benson M. Kariuki , Ahlam I. Al-Sulami , Maram T. Basha , Basmah H. Allehyani , Abdulsalam Alsubari , Joel T. Mague , Youssef Ramli
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引用次数: 0

摘要

标题化合物c10h12n40o的不对称单元由2-叠氮-乙酰氨基基团的旋转取向不同的两个独立分子组成。在晶体中,对甲基接触的检查显示,一个分子中的分子内H⋯O距离为2.47 Å,两个独立分子中的分子间H⋯N距离为2.75 Å。两者都绝对是范德华接触,后者相当短,因为H⋯O距离为0.39 Å,小于各自的范德华半径之和。Hirshfeld表面分析表明,H⋯H接触的贡献最大。在没有任何特定的C-H⋯N氢键的情况下,N⋯H/H⋯N接触的显著贡献(24.7%)可能看起来令人惊讶,但随着氮化基团从分子的其余部分伸出,这种接触发生的机会相当大。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Synthesis, crystal structure and Hirshfeld surface analysis of 2-azido-N-(2,6-di­methyl­phen­yl)acetamide
The asymmetric unit of the title compound, C10H12N4O, consists of two independent mol­ecules differing in the rotational orientation of the 2-azido­acetamido group.
The asymmetric unit of the title compound, C10H12N4O, consists of two independent mol­ecules differing in the rotational orientation of the 2-azido­acetamido group. In the crystal, inspection of the contacts of the methyl groups shows an intra­molecular H⋯O distance of 2.47 Å in one mol­ecule and inter­molecular H⋯N distances of 2.75 Å in both independent mol­ecules. Both are definitely van der Waals contacts with the latter quite short as the H⋯O distance is 0.39 Å less than the sum of the respective van der Waals radii. A Hirshfeld surface analysis indicates that the H⋯H contacts make the largest contribution. In the absence of any specific C—H⋯N hydrogen bonds, the significant contribution of N⋯H/H⋯N contacts (24.7%) might seem surprising, but with the azide group projecting away from the rest of the mol­ecule, there is considerable opportunity for such contacts to occur.
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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