Alexandra G. Podrezova , Eugeniya V. Nikitina , Mikhail S. Grigoriev , Mehmet Akkurt , Khudayar I. Hasanov , Nurlana D. Sadikhova , Ajaya Bhattarai , J. Reibenspies (Editor)
{"title":"(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。","authors":"Alexandra G. Podrezova , Eugeniya V. Nikitina , Mikhail S. Grigoriev , Mehmet Akkurt , Khudayar I. Hasanov , Nurlana D. Sadikhova , Ajaya Bhattarai , J. Reibenspies (Editor)","doi":"10.1107/S2056989024003967","DOIUrl":null,"url":null,"abstract":"<div><p>In the crystal, molecules are connected by C—H⋯O hydrogen bonds, forming <em>C</em>(8) chains running along the <em>a</em>-axis direction. Cohesion of the packing is provided by weak van der Waals interactions between the chains.</p></div><div><p>In the title compound, C<sub>15</sub>H<sub>13</sub>NO<sub>3</sub>S, the molecular conformation is stable with the intramolecular O—H⋯O hydrogen bond forming a <em>S</em>(7) ring motif. In the crystal, molecules are connected by C—H⋯O hydrogen bonds, forming <em>C</em>(8) chains running along the <em>a</em>-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°.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 572-576"},"PeriodicalIF":0.5000,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151315/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structure and Hirshfeld surface analysis of (Z)-4-oxo-4-{phenyl[(thiophen-2-yl)methyl]amino}but-2-enoic acid\",\"authors\":\"Alexandra G. Podrezova , Eugeniya V. Nikitina , Mikhail S. Grigoriev , Mehmet Akkurt , Khudayar I. Hasanov , Nurlana D. Sadikhova , Ajaya Bhattarai , J. Reibenspies (Editor)\",\"doi\":\"10.1107/S2056989024003967\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In the crystal, molecules are connected by C—H⋯O hydrogen bonds, forming <em>C</em>(8) chains running along the <em>a</em>-axis direction. Cohesion of the packing is provided by weak van der Waals interactions between the chains.</p></div><div><p>In the title compound, C<sub>15</sub>H<sub>13</sub>NO<sub>3</sub>S, the molecular conformation is stable with the intramolecular O—H⋯O hydrogen bond forming a <em>S</em>(7) ring motif. In the crystal, molecules are connected by C—H⋯O hydrogen bonds, forming <em>C</em>(8) chains running along the <em>a</em>-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°.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 6\",\"pages\":\"Pages 572-576\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151315/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2056989024001270\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024001270","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structure and Hirshfeld surface analysis of (Z)-4-oxo-4-{phenyl[(thiophen-2-yl)methyl]amino}but-2-enoic acid
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°.
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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