空间位阻2-丁基-4-甲基苯酚（TBMP）与1,3,6,8-四氮杂三环-[4.4.1.1]十二烷（TATD）形成的首个氢键加合物——经典氢键与C-H⋯π非共价相互作用的耦合
First hydrogen-bonded adduct of sterically hindered 2--butyl-4-methyl-phenol (TBMP) with 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1]dodecane (TATD) coupling of classical hydrogen bonds and C-H⋯π non-covalent inter-actions.
作者信息
Rivera Augusto, Ríos-Motta Jaime, Bolte Michael
机构信息
Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.
Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von Laue-Str. 7, 60438 Frankfurt/Main, Germany.
出版信息
Acta Crystallogr E Crystallogr Commun. 2022 May 17;78(Pt 6):599-602. doi: 10.1107/S2056989022004972. eCollection 2022 Jun 1.
The title compound, CHN·2CHO, 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 2/ with one half of a 1,3,6,8-tetra-aztri-cyclo-[4.4.1.1]dodecane (TATD) mol-ecule and one 2--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.
标题化合物CHN·2CHO是通过用氨基笼状多胺处理相应的空间位阻酚合成的。单晶X射线衍射结构分析表明，三分子聚集体在单斜空间群2/中结晶，每个不对称单元包含半个1,3,6,8-四氮杂三环[4.4.1.1]十二烷（TATD）分子和一个2-丁基-4-甲基苯酚分子。晶体结构具有分子间O-H⋯N和C-H⋯O氢键以及分子间C-H⋯π相互作用。
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