Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI:10.1107/S2056989024004687

Farid N. Naghiyev , Victor N. Khrustalev , Mehmet Akkurt , Elnur Z. Huseynov , Ajaya Bhattarai , Ali N. Khalilov , İbrahim G. Mamedov , S.-L. Zheng (Editor)

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引用次数: 0

Abstract

In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions connect the molecules by forming layers parallel to the (010) plane.

In the title compound, C₁₉H₁₇NO₅S, the cyclohexene ring adopts nearly an envelope conformation. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions connect the molecules by forming layers parallel to the (010) plane. According to the Hirshfeld surface analysis, H⋯H (36.9%), O⋯H/H⋯O (31.0%), C⋯H/H⋯C (18.9%) and S⋯H/H⋯S (7.9%) interactions are the most significant contributors to the crystal packing.

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2-oxo-4-(pyridin-2-yl)-6-(thio-phen-2-yl)cyclo-hex-3-ene-1,3-di-carboxyl-ate 的晶体结构和 Hirshfeld 表面分析。

在标题化合物 C19H17NO5S 中，环己烯环几乎呈包络构象。在晶体中，分子结构通过 C-H⋯O 氢键连接，形成三维网络。此外，C-H⋯π 相互作用通过形成平行于 (010) 平面的层来连接分子结构。根据 Hirshfeld 表面分析，H⋯H（36.9%）、O⋯H/H⋯O（31.0%）、C⋯H/H⋯C（18.9%）和 S⋯H/H⋯S（7.9%）相互作用对晶体堆积的贡献最大。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.

Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thio­phen-2-yl)cyclo­hex-3-ene-1,3-di­carboxyl­ate

Abstract

Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate