Crystal structure and Hirshfeld surface analysis of tri-aza-triborinotris[1,3,2]benzodi-aza-borole acetone disolvate.

ABSTRACT: The title compound, alternatively known as benzodi-aza-borole trimer, C₁₈H₁₅B₃N₆·2C₃H₆O, at 100 K crystallizes in the triclinic system, space group P . The structure displays N-H⋯O hydrogen bonding connecting the main mol-ecule with the crystallization solvent. Disorder of the main mol-ecule 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 inter-actions, which is supported by Hirshfeld surface analysis.

SUBMITTER: Streeter C 

PROVIDER: S-EPMC10626952 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature