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Tris(1H-benzimidazol-2-ylmeth­yl)amine methanol tris­olvate

The structure of the tertiary amine tris­(1H-benzimidazol-2-ylmeth­yl)amine (C(24)H(21)N(7), abbreviated ntb) has been previously reported twice as solvates, namely the monohydrate and the aceto­nitrile–methanol–water (1/0.5/1.5) solvate, both with the tripodal conformation formed via multiple hydro...

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Autores principales: Anzaldo-Olivares, Bertin, Arroyo, Maribel, Ramírez-Monroy, Armando, Bernès, Sylvain
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462197/
https://www.ncbi.nlm.nih.gov/pubmed/36339476
http://dx.doi.org/10.1107/S2414314620002813
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author Anzaldo-Olivares, Bertin
Arroyo, Maribel
Ramírez-Monroy, Armando
Bernès, Sylvain
author_facet Anzaldo-Olivares, Bertin
Arroyo, Maribel
Ramírez-Monroy, Armando
Bernès, Sylvain
author_sort Anzaldo-Olivares, Bertin
collection PubMed
description The structure of the tertiary amine tris­(1H-benzimidazol-2-ylmeth­yl)amine (C(24)H(21)N(7), abbreviated ntb) has been previously reported twice as solvates, namely the monohydrate and the aceto­nitrile–methanol–water (1/0.5/1.5) solvate, both with the tripodal conformation formed via multiple hydrogen bonds. Now, we report the tri­methanol adduct, ntb·3CH(3)OH, where the amine has the stair conformation featuring one benzimidazole group oriented in the opposite direction from the other two. The asymmetric unit contains one-half amine, completed through the mirror plane m in space group Pmn2(1) to form the ntb mol­ecule, with the H atom for each imidazole moiety equally disordered between both N sites available in the imidazole ring. The asymmetric unit also contains one and a half methanol mol­ecules, one being placed in general position with the hy­droxy H atom disordered over two sites with occupancy ratio 1:1, while the other lies on the m mirror plane, and has thus its hy­droxy H atom disordered by symmetry. As in the previously reported solvates, all imine and amine groups of the ntb mol­ecules and the methanol mol­ecules are involved in N—H⋯O and O—H⋯N hydrogen bonds. In the title compound, however, the involved H atom is systematically a disordered H atom provided by an imidazole group or a methanol mol­ecule. [Image: see text]
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spelling pubmed-94621972022-11-04 Tris(1H-benzimidazol-2-ylmeth­yl)amine methanol tris­olvate Anzaldo-Olivares, Bertin Arroyo, Maribel Ramírez-Monroy, Armando Bernès, Sylvain IUCrdata Data Reports The structure of the tertiary amine tris­(1H-benzimidazol-2-ylmeth­yl)amine (C(24)H(21)N(7), abbreviated ntb) has been previously reported twice as solvates, namely the monohydrate and the aceto­nitrile–methanol–water (1/0.5/1.5) solvate, both with the tripodal conformation formed via multiple hydrogen bonds. Now, we report the tri­methanol adduct, ntb·3CH(3)OH, where the amine has the stair conformation featuring one benzimidazole group oriented in the opposite direction from the other two. The asymmetric unit contains one-half amine, completed through the mirror plane m in space group Pmn2(1) to form the ntb mol­ecule, with the H atom for each imidazole moiety equally disordered between both N sites available in the imidazole ring. The asymmetric unit also contains one and a half methanol mol­ecules, one being placed in general position with the hy­droxy H atom disordered over two sites with occupancy ratio 1:1, while the other lies on the m mirror plane, and has thus its hy­droxy H atom disordered by symmetry. As in the previously reported solvates, all imine and amine groups of the ntb mol­ecules and the methanol mol­ecules are involved in N—H⋯O and O—H⋯N hydrogen bonds. In the title compound, however, the involved H atom is systematically a disordered H atom provided by an imidazole group or a methanol mol­ecule. [Image: see text] International Union of Crystallography 2020-03-05 /pmc/articles/PMC9462197/ /pubmed/36339476 http://dx.doi.org/10.1107/S2414314620002813 Text en © Anzaldo-Olivares et al. 2020 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 Data Reports
Anzaldo-Olivares, Bertin
Arroyo, Maribel
Ramírez-Monroy, Armando
Bernès, Sylvain
Tris(1H-benzimidazol-2-ylmeth­yl)amine methanol tris­olvate
title Tris(1H-benzimidazol-2-ylmeth­yl)amine methanol tris­olvate
title_full Tris(1H-benzimidazol-2-ylmeth­yl)amine methanol tris­olvate
title_fullStr Tris(1H-benzimidazol-2-ylmeth­yl)amine methanol tris­olvate
title_full_unstemmed Tris(1H-benzimidazol-2-ylmeth­yl)amine methanol tris­olvate
title_short Tris(1H-benzimidazol-2-ylmeth­yl)amine methanol tris­olvate
title_sort tris(1h-benzimidazol-2-ylmeth­yl)amine methanol tris­olvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462197/
https://www.ncbi.nlm.nih.gov/pubmed/36339476
http://dx.doi.org/10.1107/S2414314620002813
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