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First hydrogen-bonded adduct of sterically hindered 2-tert-butyl-4-methyl-phenol (TBMP) with 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1^3,8]dodecane (TATD) via coupling of classical hydrogen bonds and C-H⋯π non-covalent inter-actions.

ABSTRACT: The title compound, C₈H₁₆N₄·2C₁₁H₁₆O, was synthesized from the corres-ponding sterically crowded phenol by treatment with the aminal cage polyamine. Single-crystal X-ray diffraction structural analysis revealed the three-mol-ecule aggregate to crystallize in the monoclinic space group P2/c with one half of a 1,3,6,8-tetra-aztri-cyclo-[4.4.1.1^3,8]dodecane (TATD) mol-ecule and one 2-tert-butyl-4-methyl-phenol mol-ecule per asymmetric unit. The crystal structure features inter-molecular O-H⋯N and C-H⋯O hydrogen bonds, as well as inter-molecular C-H⋯π inter-actions.

SUBMITTER: Rivera A

PROVIDER: S-EPMC9431775 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature

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First hydrogen-bonded adduct of sterically hindered 2-tert-butyl-4-methyl-phenol (TBMP) with 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1^3,8]dodecane (TATD) via coupling of classical hydrogen bonds and C-H⋯π non-covalent inter-actions.

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First hydrogen-bonded adduct of sterically hindered 2-tert-butyl-4-methyl-phenol (TBMP) with 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.13,8]dodecane (TATD) via coupling of classical hydrogen bonds and C-H⋯π non-covalent inter-actions.

OmicsDI is part of the ELIXIR infrastructure

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First hydrogen-bonded adduct of sterically hindered 2-tert-butyl-4-methyl-phenol (TBMP) with 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1^3,8]dodecane (TATD) via coupling of classical hydrogen bonds and C-H⋯π non-covalent inter-actions.