Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(4-fluoro­phen­yl)-1,2,3,4-tetra­hydroquinolin-4-yl]pyrrolidin-2-one

IF 0.5 Q4 CRYSTALLOGRAPHY
Anastasia A. Pronina , Alexandra G. Podrezova , Mikhail S. Grigoriev , Khudayar I. Hasanov , Nurlana D. Sadikhova , Mehmet Akkurt , Ajaya Bhattarai , J. Ellena (Editor)
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引用次数: 0

Abstract

In the crystal, mol­ecules are linked by inter­molecular N—H⋯O, C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions connect mol­ecules into ribbons along the b-axis direction, consolidating the mol­ecular packing.

In the title compound, C19H18BrFN2O, the pyrrolidine ring adopts an envelope conformation. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O, C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions connect mol­ecules into ribbons along the b-axis direction, consolidating the mol­ecular packing. The inter­molecular inter­actions in the crystal structure were qu­anti­fied and analysed using Hirshfeld surface analysis.

1-[6-bromo-2-(4-fluoro-phen-yl)-1,2,3,4-tetra-hydroquinolin-4-yl]pyrrolidin-2-one 的晶体结构和 Hirshfeld 表面分析。
在标题化合物 C19H18BrFN2O 中,吡咯烷环呈包络构象。在晶体中,分子簇通过分子间的 N-H⋯O、C-H⋯O、C-H⋯F 和 C-H⋯Br 氢键相连,形成一个三维网络。此外,C-H⋯π 相互作用沿 b 轴方向将分子微粒连接成带状,巩固了分子微粒的堆积。利用 Hirshfeld 表面分析法对晶体结构中的分子间相互作用进行了量化和分析。
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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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