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

The title compound, alternatively known as benzodiazaborole trimer, C 18 H 15 B 3 N 6 ·2C 3 H 6 O, 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...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2023-11, Vol.79 (11), p.1104-1108
Hauptverfasser: Streeter, Cole, Wheeler, Kraig A., Lamm, Ashley N.
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Sprache:eng
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Zusammenfassung:The title compound, alternatively known as benzodiazaborole trimer, C 18 H 15 B 3 N 6 ·2C 3 H 6 O, 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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989023009337