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

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. © 2025 Shchevnikov et al.

Авторы
Shchevnikov Dmitriy M. 1 , Kutasevich Alexandra G. 1 , Khrustalev Victor N. 1, 2 , Guliyeva Narmina A. 3 , Hasanov Khudayar I. 4 , Akkurt Mehmet 5 , Manahelohe Gizachew Mulugeta 6
Издательство
International Union of Crystallography
Номер выпуска
Pt 7
Язык
English
Страницы
582-586
Статус
Published
Том
81
Год
2025
Организации
  • 1 RUDN University, Moscow, Moscow Oblast, Russian Federation
  • 2 N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
  • 3 Department of Chemical Engineering, Baku Engineering University, Absheron, Azerbaijan
  • 4 Azerbaijan Medical University, Baku, Azerbaijan
  • 5 Department of Physics, Erciyes Üniversitesi, Kayseri, Kayseri, Turkey
  • 6 Department of Chemistry, University of Gondar, Gondar, Amhara, Ethiopia
Ключевые слова
C-H⋯π interactions; crystal structure; Hirshfeld surface analysis; π-π interactions
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