Crystal structure and Hirshfeld surface analysis of 5,5-difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5<i>H</i>-4λ<sup>4</sup>,5λ<sup>4</sup>-dipyrrolo[1,2-<i>c</i>:2′,1′-<i>f</i>][1,3,2]diazaborinine
In the title compound, C<sub>16</sub>H<sub>17</sub>BF<sub>2</sub>N<sub>2</sub>OSi, the mol-ecular conformation is consolidated by an intra-molecular C-H⋯O hydrogen bond, forming an <i>S</i>(6) motif. In the crystal, pairs of mol-ecules are connected by C-H⋯π and π-π inter-actions [centroid-to-centroid distance = 3.6155 (8) Å] between the furan rings. These dimers are linked by π-π inter-actions [centroid-to-centroid distance = 3.4041 (9) Å] between similar five-membered rings of the twelve-membered ring system, forming ribbons along the <i>a</i>-axis direction. As a result, the van der Waals inter-actions between the ribbons provide crystal cohesion. Hirshfeld surface analysis indicates that H⋯H (48.6%), F⋯H/H⋯F (19.8%) and C⋯H/H⋯C (19.0%) inter-actions make the most significant contributions to the crystal packing.
Authors
- Victor N. Khrustalev (ORCID: https://orcid.org/0000-0001-8806-2975)
- Gizachew Mulugeta Manahelohe (ORCID: https://orcid.org/0000-0002-6098-9450)
- Dmitriy M. Shchevnikov
- Khudayar I. Hasanov
- Mehmet Akkurt (ORCID: https://orcid.org/0000-0003-2421-0929)
- Alexandra G. Kutasevich
- Narmina A. Guliyeva
Institutions
- 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
- 2025-06-06
- DOI
- https://doi.org/10.1107/s2056989025004888
- Primary Topic
- Luminescence and Fluorescent Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- RUDN University