Crystal structure and Hirshfeld surface analysis of (Z)-4-oxo-4-{phen­yl[(thio­phen-2-yl)meth­yl]amino}­but-2-enoic acid

Alexandra G. Podrezova , Eugeniya V. Nikitina , Mikhail S. Grigoriev , Mehmet Akkurt , Khudayar I. Hasanov , Nurlana D. Sadikhova , Ajaya Bhattarai , J. Reibenspies (Editor)
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Abstract

In the crystal, mol­ecules are connected by C—H⋯O hydrogen bonds, forming C(8) chains running along the a-axis direction. Cohesion of the packing is provided by weak van der Waals inter­actions between the chains.

In the title compound, C15H13NO3S, the mol­ecular conformation is stable with the intra­molecular O—H⋯O hydrogen bond forming a S(7) ring motif. In the crystal, mol­ecules are connected by C—H⋯O hydrogen bonds, forming C(8) chains running along the a-axis direction. Cohesion of the packing is provided by weak van der Waals inter­actions between the chains. A Hirshfeld surface analysis was undertaken to investigate and qu­antify the inter­molecular inter­actions. The thio­phene ring is disordered in a 0.9466 (17):0.0534 (17) ratio over two positions rotated by 180°.

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(Z)-4-oxo-4-{phen-yl[(thio-phen-2-yl)meth-yl]amino}-but-2-enoic acid 的晶体结构和 Hirshfeld 表面分析。
在标题化合物 C15H13NO3S 中,分子-分子构象稳定,分子内 O-H⋯O 氢键形成一个 S(7) 环图案。在晶体中,分子小体通过 C-H⋯O 氢键连接,形成沿 a 轴方向的 C(8) 链。链之间微弱的范德华相互作用提供了堆积的内聚力。为了研究和量化分子间的相互作用,我们进行了 Hirshfeld 表面分析。在旋转 180° 的两个位置上,硫酚环的无序度为 0.9466 (17):0.0534 (17)。
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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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