Crystal structure and Hirshfeld surface analysis of 10-([2,3′-bi­thio­phen]-5′-yl)-5,5-di­fluoro-5H-4λ4,5λ4-di­pyrrolo­[1,2-c:2′,1′-f][1,3,2]di­aza­borinine

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Polyanskaya D. K., Polianskaia Z. A., Khrustalev V. N., AKKURT M., Manahelohe G. M., Hasanov K. I., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.82, pp.871-876, 2026 (ESCI, Scopus)

• Publication Type: Article / Article
• Volume: 82
• Publication Date: 2026
• Doi Number: 10.1107/s205698902600647x
• Journal Name: Acta Crystallographica Section E: Crystallographic Communications
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.871-876
• Keywords: crystal structure, disorder, Hirshfeld surface analysis, S-hetero­cycle, thio­phene
• Erciyes University Affiliated: Yes

Abstract

In the title compound, C17H11BF2N2S2, the mol­ecular conformation is consolidated by an intra­molecular C—H⋯S inter­action forming an S(6) ring. In the crystal, mol­ecules are linked by C—H⋯F inter­actions, forming a three-dimensional network. The terminal thio­phene ring is disordered in a 0.659 (3):0.341 (3) ratio around the C—C bond that connects the thio­phene rings, with a rotation of approximately 180° around the ring. According to a Hirshfeld surface analysis, H⋯H (34.8%), C⋯H/H⋯C (22.1%) and F⋯H/H⋯F (18.6%) inter­actions are the main contributors to the crystal packing.