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2-叠氮基-1-（4-硝基苯基）乙酮

2-Azido-1-(4-nitro-phen-yl)ethanone.

作者信息

Yousuf Sammer, Arshad Muhammad, Butt Hafiza Madiha, Saeed Sumayya, Basha Fatima Z

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1952. doi: 10.1107/S1600536812021241. Epub 2012 May 31.

DOI:10.1107/S1600536812021241
PMID:22719701
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379503/
Abstract

In the title compound, C(8)H(6)N(4)O(3), the ketone [C-C(=O)-C] and nitro groups are tilted with respect to the benzene ring by 18.92 (6) and 24.11 (15)°, respectively. In the crystal, mol-ecules are linked into inter-woven chains running parallel to the [100] direction by C-H⋯N hydrogen bonds and weak π-π stacking inter-actions, with centroid-centroid separations of 3.897 (3) Å.

摘要

在标题化合物C₈H₆N₄O₃中，酮基[C-C(=O)-C]和硝基相对于苯环分别倾斜18.92 (6)°和24.11 (15)°。在晶体中，分子通过C-H⋯N氢键和弱的π-π堆积相互作用连接成平行于[100]方向的交织链，质心间距为3.897 (3) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0688/3379503/ebf94e2e53c7/e-68-o1952-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0688/3379503/2742d644e830/e-68-o1952-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0688/3379503/ebf94e2e53c7/e-68-o1952-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0688/3379503/2742d644e830/e-68-o1952-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0688/3379503/ebf94e2e53c7/e-68-o1952-fig2.jpg

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2-Azido-1-(4-fluoro-phen-yl)ethanone.2-叠氮基-1-(4-氟苯基)乙酮
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Structure validation in chemical crystallography.化学晶体学中的结构验证
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