Crystal structure and Hirshfeld surface analysis of triazatriborinotris[1,3,2]benzodiazaborole acetone disolvate

oleh: Cole Streeter, Kraig A. Wheeler, Ashley N. Lamm

Format: Article
Diterbitkan: International Union of Crystallography 2023-11-01

Deskripsi

The title compound, alternatively known as benzodiazaborole trimer, C18H15B3N6·2C3H6O, at 100 K crystallizes in the triclinic system, space group P\overline{1}. The structure displays N—H...O hydrogen bonding connecting the main molecule with the crystallization solvent. Disorder of the main molecule is observed with occupancy factors refined to 0.8922 (14):0.1078 (14). The packing of the crystal shows a parallel-displaced atom-centered orientation with 3.30 (2) Å between the planes of the rings. In the solid state, the title compound is linked with weak C—H...π interactions, which is supported by Hirshfeld surface analysis.