Crystal structure and Hirshfeld surface analysis of 5,5-difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5H-4λ4,5λ4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine
Acta Crystallographica Section E: Crystallographic Communications, vol.81, no.Pt 7, pp.582-586, 2025 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 81 Issue: Pt 7
- Publication Date: 2025
- Doi Number: 10.1107/s2056989025004888
- Journal Name: Acta Crystallographica Section E: Crystallographic Communications
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.582-586
- Keywords: C-H⋯π interactions, crystal structure, Hirshfeld surface analysis, π-π interactions
- Erciyes University Affiliated: Yes
Abstract
In the title compound, C16H17BF2N2OSi, the molecular conformation is consolidated by an intramolecular C-H⋯O hydrogen bond, forming an S(6) motif. In the crystal, pairs of molecules are connected by C-H⋯π and π-π interactions [centroid-to-centroid distance = 3.6155 (8) Å] between the furan rings. These dimers are linked by π-π interactions [centroid-to-centroid distance = 3.4041 (9) Å] between similar five-membered rings of the twelve-membered ring system, forming ribbons along the a-axis direction. As a result, the van der Waals interactions 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%) interactions make the most significant contributions to the crystal packing.