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Synthesis and structure of a 1:1 co-crystal of hexa­methyl­ene­tetra­mine carb­oxy­borane and acetamino­phen

Hexa­methyl­ene­tetra­mine carboacetamino­phenborane, a mol­ecule with two pharmacophores attached to a central carb­oxy­borate moiety, was synthesized and crystals were grown with an acetamino­phen co-crystal former to result in the title 1:1 co-crystal [hexa­methyl­ene­tetra­mine 4-acetamido­pheny...

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Detalles Bibliográficos
Autores principales: Ayudhya, Theppawut, Raymond, Casey, Dingra, Nin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7784649/
https://www.ncbi.nlm.nih.gov/pubmed/33520268
http://dx.doi.org/10.1107/S2056989020015327
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author Ayudhya, Theppawut
Raymond, Casey
Dingra, Nin
author_facet Ayudhya, Theppawut
Raymond, Casey
Dingra, Nin
author_sort Ayudhya, Theppawut
collection PubMed
description Hexa­methyl­ene­tetra­mine carboacetamino­phenborane, a mol­ecule with two pharmacophores attached to a central carb­oxy­borate moiety, was synthesized and crystals were grown with an acetamino­phen co-crystal former to result in the title 1:1 co-crystal [hexa­methyl­ene­tetra­mine 4-acetamido­phenyl 2-boranyl­acetate–4-acet­amido­phenol (1/1)], C(15)H(22)BN(5)O(3)·C(8)H(9)NO(2). In the first of these mol­ecules, both the borate-ester and acetyl­amino groups are considerably twisted away from the plane of the inter­vening benzene ring [dihedral angles = 76.89 (9) and 65.42 (9)°, respectively]. The extended structure of this co-crystal features N—H⋯O and O—H⋯O hydrogen bonds, which link the components into (100) sheets and weak C—H⋯O hydrogen bonds help to consolidate the structure.
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spelling pubmed-77846492021-01-29 Synthesis and structure of a 1:1 co-crystal of hexa­methyl­ene­tetra­mine carb­oxy­borane and acetamino­phen Ayudhya, Theppawut Raymond, Casey Dingra, Nin Acta Crystallogr E Crystallogr Commun Research Communications Hexa­methyl­ene­tetra­mine carboacetamino­phenborane, a mol­ecule with two pharmacophores attached to a central carb­oxy­borate moiety, was synthesized and crystals were grown with an acetamino­phen co-crystal former to result in the title 1:1 co-crystal [hexa­methyl­ene­tetra­mine 4-acetamido­phenyl 2-boranyl­acetate–4-acet­amido­phenol (1/1)], C(15)H(22)BN(5)O(3)·C(8)H(9)NO(2). In the first of these mol­ecules, both the borate-ester and acetyl­amino groups are considerably twisted away from the plane of the inter­vening benzene ring [dihedral angles = 76.89 (9) and 65.42 (9)°, respectively]. The extended structure of this co-crystal features N—H⋯O and O—H⋯O hydrogen bonds, which link the components into (100) sheets and weak C—H⋯O hydrogen bonds help to consolidate the structure. International Union of Crystallography 2020-11-24 /pmc/articles/PMC7784649/ /pubmed/33520268 http://dx.doi.org/10.1107/S2056989020015327 Text en © Ayudhya et al. 2020 http://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.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Ayudhya, Theppawut
Raymond, Casey
Dingra, Nin
Synthesis and structure of a 1:1 co-crystal of hexa­methyl­ene­tetra­mine carb­oxy­borane and acetamino­phen
title Synthesis and structure of a 1:1 co-crystal of hexa­methyl­ene­tetra­mine carb­oxy­borane and acetamino­phen
title_full Synthesis and structure of a 1:1 co-crystal of hexa­methyl­ene­tetra­mine carb­oxy­borane and acetamino­phen
title_fullStr Synthesis and structure of a 1:1 co-crystal of hexa­methyl­ene­tetra­mine carb­oxy­borane and acetamino­phen
title_full_unstemmed Synthesis and structure of a 1:1 co-crystal of hexa­methyl­ene­tetra­mine carb­oxy­borane and acetamino­phen
title_short Synthesis and structure of a 1:1 co-crystal of hexa­methyl­ene­tetra­mine carb­oxy­borane and acetamino­phen
title_sort synthesis and structure of a 1:1 co-crystal of hexa­methyl­ene­tetra­mine carb­oxy­borane and acetamino­phen
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7784649/
https://www.ncbi.nlm.nih.gov/pubmed/33520268
http://dx.doi.org/10.1107/S2056989020015327
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