4-甲基- n-[2-（5-甲基-呋喃-2-基）苯基]- n-[（5-苯基-呋喃-2-基）甲基]苯磺酰胺的晶体结构和Hirshfeld表面分析。

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-08-01 DOI:10.1107/S2056989025006231

Selbi Annadurdyyeva , Anastasia E. Levina , Victor N. Khrustalev , Roya Z. Nazarova , Khudayar I. Hasanov , Nurlana D. Sadikhova , Mehmet Akkurt , Gizachew Mulugeta Manahelohe

{"title":"4-甲基- n-[2-（5-甲基-呋喃-2-基）苯基]- n-[（5-苯基-呋喃-2-基）甲基]苯磺酰胺的晶体结构和Hirshfeld表面分析。","authors":"Selbi Annadurdyyeva , Anastasia E. Levina , Victor N. Khrustalev , Roya Z. Nazarova , Khudayar I. Hasanov , Nurlana D. Sadikhova , Mehmet Akkurt , Gizachew Mulugeta Manahelohe","doi":"10.1107/S2056989025006231","DOIUrl":null,"url":null,"abstract":"<div><div>In the crystal, molecules are linked by C—H⋯O interactions, forming layers parallel to the (100) plane. In addition, π–π [centroid-to-centroid distance = 3.4961 (7) Å] and C—H⋯π interactions connect molecules within the layers. The layers are also bound to each other by van der Waals interactions.</div></div><div><div>In the title compound, C<sub>29</sub>H<sub>25</sub>NO<sub>4</sub>S, the molecular conformation is stable with intramolecular C—H⋯O and C—H⋯N interactions being observed. In the crystal, molecules are linked by C—H⋯O interactions, forming layers parallel to the (100) plane. In addition, π–π [centroid-to-centroid distance = 3.4961 (7) Å] and C—H⋯π interactions connect the molecules within the layers. The layers are also bound to each other by van der Waals interactions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (53.2%), C⋯H/H⋯C (28.9%) and O⋯H/H⋯O (13.8%) contacts.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 706-710"},"PeriodicalIF":0.6000,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal structure and Hirshfeld surface analysis of 4-methyl-N-[2-(5-methylfuran-2-yl)phenyl]-N-[(5-phenylfuran-2-yl)methyl]benzenesulfonamide\",\"authors\":\"Selbi Annadurdyyeva , Anastasia E. Levina , Victor N. Khrustalev , Roya Z. Nazarova , Khudayar I. Hasanov , Nurlana D. Sadikhova , Mehmet Akkurt , Gizachew Mulugeta Manahelohe\",\"doi\":\"10.1107/S2056989025006231\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In the crystal, molecules are linked by C—H⋯O interactions, forming layers parallel to the (100) plane. In addition, π–π [centroid-to-centroid distance = 3.4961 (7) Å] and C—H⋯π interactions connect molecules within the layers. The layers are also bound to each other by van der Waals interactions.</div></div><div><div>In the title compound, C<sub>29</sub>H<sub>25</sub>NO<sub>4</sub>S, the molecular conformation is stable with intramolecular C—H⋯O and C—H⋯N interactions being observed. In the crystal, molecules are linked by C—H⋯O interactions, forming layers parallel to the (100) plane. In addition, π–π [centroid-to-centroid distance = 3.4961 (7) Å] and C—H⋯π interactions connect the molecules within the layers. The layers are also bound to each other by van der Waals interactions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (53.2%), C⋯H/H⋯C (28.9%) and O⋯H/H⋯O (13.8%) contacts.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"81 8\",\"pages\":\"Pages 706-710\"},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2025-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"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/S2056989025001331\",\"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/S2056989025001331","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}

引用次数: 0

摘要

在标题化合物C29H25NO4S中，分子构象稳定，观察到分子内C-H⋯O和C-H⋯N相互作用。在晶体中，分子通过C-H⋯O相互作用连接，形成平行于（100）平面的层。此外，π-π[质心到质心距离= 3.4961 (7)Å]和C-H⋯π相互作用连接了层内的分子。这些层也通过范德华相互作用相互束缚。对晶体结构的Hirshfeld表面分析表明，对晶体堆积最重要的贡献是H⋯H (53.2%), C⋯H/H⋯C（28.9%）和O⋯H/H⋯O（13.8%）接触。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Crystal structure and Hirshfeld surface analysis of 4-methyl-N-[2-(5-methylfuran-2-yl)phenyl]-N-[(5-phenylfuran-2-yl)methyl]benzenesulfonamide

In the crystal, molecules are linked by C—H⋯O interactions, forming layers parallel to the (100) plane. In addition, π–π [centroid-to-centroid distance = 3.4961 (7) Å] and C—H⋯π interactions connect molecules within the layers. The layers are also bound to each other by van der Waals interactions.

In the title compound, C₂₉H₂₅NO₄S, the molecular conformation is stable with intramolecular C—H⋯O and C—H⋯N interactions being observed. In the crystal, molecules are linked by C—H⋯O interactions, forming layers parallel to the (100) plane. In addition, π–π [centroid-to-centroid distance = 3.4961 (7) Å] and C—H⋯π interactions connect the molecules within the layers. The layers are also bound to each other by van der Waals interactions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (53.2%), C⋯H/H⋯C (28.9%) and O⋯H/H⋯O (13.8%) contacts.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

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.