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

Acta Crystallogr E Crystallogr Commun

Department of Chemistry, Biochemistry and Physics, Eastern Washington, University, Cheney, WA 99004, USA.

Published: November 2023

The title compound, alternatively known as benzodi-aza-borole trimer, CHBN·2CHO, at 100 K crystallizes in the triclinic system, space group . 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.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626952PMC
http://dx.doi.org/10.1107/S2056989023009337DOI Listing

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