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2-叠氮基-（4-氟苯基）乙酰胺的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 2-azido--(4-fluoro-phen-yl)acetamide.

作者信息

Missioui Mohcine, Guerrab Walid, Alsubari Abdulsalam, Mague Joel T, Ramli Youssef

机构信息

Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Morocco.

Laboratory of Medicinal Chemistry, Faculty of Clinical Pharmacy, 21 September University, Yemen.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Jul 29;78(Pt 8):855-859. doi: 10.1107/S2056989022006764. eCollection 2022 Aug 1.

DOI:10.1107/S2056989022006764
PMID:35974836
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9361366/
Abstract

The asymmetric unit of the title compound, CHFNO, consists of two independent mol-ecules differing in the orientation of the azido group. Each mol-ecule forms N-H⋯O hydrogen-bonded chains along along the -axis direction with its symmetry-related counterparts and the chains are connected by C-F⋯π(ring), C=O⋯π(ring) and slipped π-stacking inter-actions. A Hirshfeld surface analysis of these inter-actions was performed.

摘要

标题化合物CHFNO的不对称单元由两个叠氮基取向不同的独立分子组成。每个分子与其对称相关的分子沿轴方向形成N-H⋯O氢键链，这些链通过C-F⋯π（环）、C=O⋯π（环）和滑移π堆积相互作用相连。对这些相互作用进行了 Hirshfeld 表面分析。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/e6326a7c76e5/e-78-00855-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/e598c4197970/e-78-00855-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/c355bfccfe56/e-78-00855-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/a755604b4837/e-78-00855-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/619ad9283510/e-78-00855-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/f2e6959c8387/e-78-00855-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/12a04493d381/e-78-00855-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/e6326a7c76e5/e-78-00855-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/e598c4197970/e-78-00855-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/c355bfccfe56/e-78-00855-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/a755604b4837/e-78-00855-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/619ad9283510/e-78-00855-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/f2e6959c8387/e-78-00855-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/12a04493d381/e-78-00855-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed11/9361366/e6326a7c76e5/e-78-00855-fig7.jpg

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