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 [Image: see text] . The structure displays N—H⋯O hydrogen bonding connecting the main mol­ecule with the crystallization solvent. Disorder...

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Detalles Bibliográficos
Autores principales: Streeter, Cole, Wheeler, Kraig A., Lamm, Ashley N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626952/
https://www.ncbi.nlm.nih.gov/pubmed/37936853
http://dx.doi.org/10.1107/S2056989023009337
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author Streeter, Cole
Wheeler, Kraig A.
Lamm, Ashley N.
author_facet Streeter, Cole
Wheeler, Kraig A.
Lamm, Ashley N.
author_sort Streeter, Cole
collection PubMed
description 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 [Image: see text] . 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.
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spelling pubmed-106269522023-11-07 Crystal structure and Hirshfeld surface analysis of tri­aza­triborinotris[1,3,2]benzodi­aza­borole acetone disolvate Streeter, Cole Wheeler, Kraig A. Lamm, Ashley N. Acta Crystallogr E Crystallogr Commun Research Communications 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 [Image: see text] . 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. International Union of Crystallography 2023-10-31 /pmc/articles/PMC10626952/ /pubmed/37936853 http://dx.doi.org/10.1107/S2056989023009337 Text en © Streeter et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Streeter, Cole
Wheeler, Kraig A.
Lamm, Ashley N.
Crystal structure and Hirshfeld surface analysis of tri­aza­triborinotris[1,3,2]benzodi­aza­borole acetone disolvate
title Crystal structure and Hirshfeld surface analysis of tri­aza­triborinotris[1,3,2]benzodi­aza­borole acetone disolvate
title_full Crystal structure and Hirshfeld surface analysis of tri­aza­triborinotris[1,3,2]benzodi­aza­borole acetone disolvate
title_fullStr Crystal structure and Hirshfeld surface analysis of tri­aza­triborinotris[1,3,2]benzodi­aza­borole acetone disolvate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of tri­aza­triborinotris[1,3,2]benzodi­aza­borole acetone disolvate
title_short Crystal structure and Hirshfeld surface analysis of tri­aza­triborinotris[1,3,2]benzodi­aza­borole acetone disolvate
title_sort crystal structure and hirshfeld surface analysis of tri­aza­triborinotris[1,3,2]benzodi­aza­borole acetone disolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626952/
https://www.ncbi.nlm.nih.gov/pubmed/37936853
http://dx.doi.org/10.1107/S2056989023009337
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AT lammashleyn crystalstructureandhirshfeldsurfaceanalysisoftriazatriborinotris132benzodiazaboroleacetonedisolvate

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