Elizaveta D. Yakovleva , Victoria I. Salakhova , Victor N. Khrustalev , Roya Z. Nazarova , Khudayar I. Hasanov , Tahir A. Javadzade , Mehmet Akkurt , Gizachew Mulugeta Manahelohe
{"title":"Crystal structure and Hirshfeld surface analysis of (3aRS,4RS,10SR,10aSR)-2-(3,5-dimethylphenyl)-4-hydroxy-10-methyl-1-oxo-2,3,3a,4,10,10a-hexahydro-1H-[1]benzofuro[2,3-f]isoindole-10-carboxylic acid dimethylformamide monosolvate","authors":"Elizaveta D. Yakovleva , Victoria I. Salakhova , Victor N. Khrustalev , Roya Z. Nazarova , Khudayar I. Hasanov , Tahir A. Javadzade , Mehmet Akkurt , Gizachew Mulugeta Manahelohe","doi":"10.1107/S2056989025006814","DOIUrl":null,"url":null,"abstract":"<div><div>The molecular conformation of the title compound, C<sub>24</sub>H<sub>23</sub>NO<sub>5</sub>·C<sub>3</sub>H<sub>7</sub>NO, is consolidated by intramolecular C—H⋯O O—H⋯O hydrogen bonds, forming an <em>S</em>(6) ring motif. In the crystal, the molecules are connected by C—H⋯O hydrogen bonds, forming layers parallel to the (101) plane. Additionally, C—H⋯π interactions lead to the formation of layers parallel to the (102) plane.</div></div><div><div>The molecular conformation of the title compound, C<sub>24</sub>H<sub>23</sub>NO<sub>5</sub>·C<sub>3</sub>H<sub>7</sub>NO, is consolidated by intramolecular C—H⋯O O—H⋯O hydrogen bonds, forming an <em>S</em>(6) ring motif. In the crystal, the molecules are connected by C—H⋯O hydrogen bonds, forming layers parallel to the (101) plane. Furthermore, the molecules form layers parallel to the (102) plane by C—H⋯π interactions. Important intermolecular interactions highlighted by Hirshfeld surface analysis are H⋯H (54.7%), O⋯H/H⋯O (23.0%), and C⋯H/H⋯C (19.9%) contacts.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 9","pages":"Pages 816-820"},"PeriodicalIF":0.6000,"publicationDate":"2025-09-01","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/S2056989025001604","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
Abstract
The molecular conformation of the title compound, C24H23NO5·C3H7NO, is consolidated by intramolecular C—H⋯O O—H⋯O hydrogen bonds, forming an S(6) ring motif. In the crystal, the molecules are connected by C—H⋯O hydrogen bonds, forming layers parallel to the (101) plane. Additionally, C—H⋯π interactions lead to the formation of layers parallel to the (102) plane.
The molecular conformation of the title compound, C24H23NO5·C3H7NO, is consolidated by intramolecular C—H⋯O O—H⋯O hydrogen bonds, forming an S(6) ring motif. In the crystal, the molecules are connected by C—H⋯O hydrogen bonds, forming layers parallel to the (101) plane. Furthermore, the molecules form layers parallel to the (102) plane by C—H⋯π interactions. Important intermolecular interactions highlighted by Hirshfeld surface analysis are H⋯H (54.7%), O⋯H/H⋯O (23.0%), and C⋯H/H⋯C (19.9%) contacts.
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.