1-[6-溴-2-(3-溴苯基)-1,2,3,4-四氢喹啉-4-基]吡咯烷-2-酮的晶体结构和 Hirshfeld 表面分析

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-09-01 DOI:10.1107/S2056989024008144

Anastasia A. Pronina , Alexandra G. Kutasevich , Mikhail S. Grigoriev , Khudayar I. Hasanov , Nurlana D. Sadikhova , Tahir A. Javadzade , Mehmet Akkurt , Ajaya Bhattarai

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引用次数: 0

摘要

在晶体中，分子通过分子间的 N-H⋯O、C-H⋯O 和 C-H⋯Br 氢键相连，形成一个三维网络。本研究介绍了 1-[6-溴-2-（3-溴苯基）-1,2,3,4-四氢喹啉-4-基]吡咯烷-2-酮（C19H18Br2N2O）的合成、表征和 Hirshfeld 表面分析。在标题化合物中，吡咯烷环呈扭曲的包络构型。在晶体中，分子通过分子间的 N-H⋯O、C-H⋯O 和 C-H⋯Br 氢键相连，形成一个三维网络。此外，沿 c 轴的成对分子通过 C-H⋯π 相互作用连接在一起。根据 Hirshfeld 表面研究，H⋯H（36.9%）、Br⋯H/H⋯Br（28.2%）和 C⋯H/H⋯C（24.3%）相互作用是晶体堆积的最主要因素。

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

In the crystal, molecules are linked by intermolecular N—H⋯O, C—H⋯O and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, pairs of molecules along the c axis are connected by C—H⋯π interactions.

This study presents the synthesis, characterization and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one, C₁₉H₁₈Br₂N₂O. In the title compound, the pyrrolidine ring adopts a distorted envelope configuration. In the crystal, molecules are linked by intermolecular N—H⋯O, C—H⋯O and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, pairs of molecules along the c axis are connected by C—H⋯π interactions. According to a Hirshfeld surface study, H⋯H (36.9%), Br⋯H/H⋯Br (28.2%) and C⋯H/H⋯C (24.3%) interactions are the most significant contributors to the crystal packing.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

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.