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

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.

Source: Acta Crystallographica Section E - October 31, 2023 Category: Chemistry Authors: Streeter, C. Wheeler, K.A. Lamm, A.N. Tags: crystal structure Hirshfeld surface analysis borazine benzodiazaborole research communications Source Type: research