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First hydrogen-bonded adduct of sterically hindered 2-tert-butyl-4-methyl­phenol (TBMP) with 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1(3,8)]dodecane (TATD) via coupling of classical hydrogen bonds and C—H⋯π non-covalent inter­actions

The title compound, C(8)H(16)N(4)·2C(11)H(16)O, was synthesized from the corres­ponding sterically crowded phenol by treatment with the aminal cage polyamine. Single-crystal X-ray diffraction structural analysis revealed the three-mol­ecule aggregate to crystallize in the monoclinic space group P2/c...

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Detalles Bibliográficos
Autores principales: Rivera, Augusto, Ríos-Motta, Jaime, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431775/
https://www.ncbi.nlm.nih.gov/pubmed/36072145
http://dx.doi.org/10.1107/S2056989022004972
Descripción
Sumario:The title compound, C(8)H(16)N(4)·2C(11)H(16)O, was synthesized from the corres­ponding sterically crowded phenol by treatment with the aminal cage polyamine. Single-crystal X-ray diffraction structural analysis revealed the three-mol­ecule aggregate to crystallize in the monoclinic space group P2/c with one half of a 1,3,6,8-tetra­aztri­cyclo­[4.4.1.1(3,8)]dodecane (TATD) mol­ecule and one 2-tert-butyl-4-methyl­phenol mol­ecule per asymmetric unit. The crystal structure features inter­molecular O—H⋯N and C—H⋯O hydrogen bonds, as well as inter­molecular C—H⋯π inter­actions.