Khatira N Aliyeva, Tuncer Hökelek, Victor N Khrustalev, Rovnag M Rzayev, Ajaya Bhattarai, Abel M Maharramov, Namig G Shikhaliyev
{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-<i>N</i>-phenyl-3-(thio-phen-2-yl)-2,3,4,5-tetra-hydro-[1,1'-biphen-yl]-4-carboxamide.","authors":"Khatira N Aliyeva, Tuncer Hökelek, Victor N Khrustalev, Rovnag M Rzayev, Ajaya Bhattarai, Abel M Maharramov, Namig G Shikhaliyev","doi":"10.1107/S205698902500057X","DOIUrl":null,"url":null,"abstract":"<p><p>The asymmetric unit of the title com-pound, C<sub>23</sub>H<sub>19</sub>NO<sub>2</sub>S, contains two mol-ecules that differ in the conformation of the two carb-ox-amide moieties. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains propagating parallel to the <i>c</i>-axis direction. Between the mol-ecules, weak C-H⋯π(ring) inter-actions are present, whereas π-π inter-actions are not observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (47.6%), H⋯C/C⋯H (33.4%) and H⋯O/O⋯H (11.6%) inter-actions. Orientational disorder is observed for both thio-phene rings.</p>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 Pt 2","pages":"177-182"},"PeriodicalIF":0.5000,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11799798/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S205698902500057X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/2/1 0:00:00","PubModel":"eCollection","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
The asymmetric unit of the title com-pound, C23H19NO2S, contains two mol-ecules that differ in the conformation of the two carb-ox-amide moieties. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains propagating parallel to the c-axis direction. Between the mol-ecules, weak C-H⋯π(ring) inter-actions are present, whereas π-π inter-actions are not observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (47.6%), H⋯C/C⋯H (33.4%) and H⋯O/O⋯H (11.6%) inter-actions. Orientational disorder is observed for both thio-phene rings.
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.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
