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

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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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。
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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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