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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
Descripción
Sumario: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.