Crystal structure and Hirshfeld surface analysis of 4-bromo-6-phenyl-6,7-dihydro-5<i>H</i>-furo[2,3-<i>f</i>]isoindol-5-one
The title mol-ecule, C<sub>16</sub>H<sub>10</sub>BrNO<sub>2</sub>, is essentially planar (r.m.s. deviation = 0.004 Å). In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯Br hydrogen bonds, forming ribbons along the <i>b</i>-axis direction. Furthermore, π-π inter-actions cause the mol-ecules to form ribbons along the [1 0 ] and [1 0 10] directions [centroid-to-centroid distances = 3.703 (3), 3.734 (3), 3.703 (3), and 3.734 (3) Å]. According to a Hirshfeld surface analysis, H⋯H (33.8%), O⋯H/H⋯O (15.1%), C⋯H/H⋯C (14.6%), Br⋯H/H⋯Br (13.8%), and C⋯C (11.9%) inter-actions are the main contributors to the crystal packing.
Authors
- Roya Z. Nazarova
- Н А Муршудлу
- И. А. Колесник (ORCID: https://orcid.org/0000-0003-4921-4299)
- Kseniia A. Alekseeva (ORCID: https://orcid.org/0000-0001-6414-7122)
- Gizachew Mulugeta Manahelohe (ORCID: https://orcid.org/0000-0002-6098-9450)
- Mikhail S. Grigoriev (ORCID: https://orcid.org/0000-0002-6363-5535)
- Khudayar I. Hasanov
- Mehmet Akkurt (ORCID: https://orcid.org/0000-0003-2421-0929)
Institutions
- Peoples' Friendship University of Russia (RU)
- National Academy of Sciences of Belarus (BY)
- Azerbaijan Medical University (AZ)
- Russian New University (RU)
- Sumgayit State University (AZ)
- Frumkin Institute of Physical Chemistry and Electrochemistry Russian Academy of Sciences (RU)
- Baku Engineering University (AZ)
- University of Gondar (ET)
- Erciyes University (TR)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-08-13
- DOI
- https://doi.org/10.1107/s2056989025007170
- Primary Topic
- Synthesis and pharmacology of benzodiazepine derivatives
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Belarusian Republican Foundation for Fundamental Research
- Russian Science Foundation