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Inter­molecular inter­actions in a phenol-substituted benzimidazole

Hydrogen bonding plays an important role in the design of solid-state structures and gels with desirable properties. 1-(4-Hydroxybenzyl)-2-(4-hydroxyphenyl)-5,6-dimethyl-1H-benzimidazole was isolated as the acetone disolvate, C(22)H(20)N(2)O(2)·2C(3)H(6)O. O—H⋯N hydrogen bonding between benz­imidazo...

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Detalles Bibliográficos
Autores principales: Geiger, David K., Geiger, H. Cristina, Moore, Shawn M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362671/
https://www.ncbi.nlm.nih.gov/pubmed/30800466
http://dx.doi.org/10.1107/S2056989019001270
Descripción
Sumario:Hydrogen bonding plays an important role in the design of solid-state structures and gels with desirable properties. 1-(4-Hydroxybenzyl)-2-(4-hydroxyphenyl)-5,6-dimethyl-1H-benzimidazole was isolated as the acetone disolvate, C(22)H(20)N(2)O(2)·2C(3)H(6)O. O—H⋯N hydrogen bonding between benz­imidazole mol­ecules results in chains parallel to [010]. One of the acetone solvate mol­ecules participates in O—H⋯O hydrogen bonding with the benzimidazole derivative. C—H⋯π inter­actions are observed in the extended structure. Hirshfeld surface analysis was used to explore the inter­molecular inter­actions and density functional theory was used to estimate the strength of the hydrogen bonds.