Crystal structure and Hirshfeld surface analysis of (3a<i>RS</i>,4<i>RS</i>,10<i>SR</i>,10a<i>SR</i>)-2-(3,5-dimethylphenyl)-4-hydroxy-10-methyl-1-oxo-2,3,3a,4,10,10a-hexahydro-1<i>H</i>-[1]benzofuro[2,3-<i>f</i>]isoindole-10-carboxylic acid dimethyl
The mol-ecular 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 intra-molecular C-H⋯O O-H⋯O hydrogen bonds, forming an <i>S</i>(6) ring motif. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds, forming layers parallel to the (101) plane. Furthermore, the mol-ecules form layers parallel to the (102) plane by C-H⋯π inter-actions. Important inter-molecular inter-actions highlighted by Hirshfeld surface analysis are H⋯H (54.7%), O⋯H/H⋯O (23.0%), and C⋯H/H⋯C (19.9%) contacts.
Authors
- Roya Z. Nazarova
- Victor N. Khrustalev (ORCID: https://orcid.org/0000-0001-8806-2975)
- Elizaveta D. Yakovleva (ORCID: https://orcid.org/0000-0002-8819-4043)
- Gizachew Mulugeta Manahelohe (ORCID: https://orcid.org/0000-0002-6098-9450)
- Khudayar I. Hasanov
- Mehmet Akkurt (ORCID: https://orcid.org/0000-0003-2421-0929)
- Tahir A. Javadzade (ORCID: https://orcid.org/0000-0003-3327-4430)
- Victoria I. Salakhova
Institutions
- Khazar University (AZ)
- Peoples' Friendship University of Russia (RU)
- Azerbaijan Medical University (AZ)
- Russian New University (RU)
- N.D. Zelinsky Institute of Organic Chemistry (RU)
- Baku Engineering University (AZ)
- University of Gondar (ET)
- Erciyes University (TR)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-08-04
- DOI
- https://doi.org/10.1107/s2056989025006814
- Primary Topic
- Synthesis and pharmacology of benzodiazepine derivatives
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Russian Science Foundation