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:
Research Communications
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
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author Rivera, Augusto
Ríos-Motta, Jaime
Bolte, Michael
author_facet Rivera, Augusto
Ríos-Motta, Jaime
Bolte, Michael
author_sort Rivera, Augusto
collection PubMed
description 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.
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spelling pubmed-94317752022-09-06 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 Rivera, Augusto Ríos-Motta, Jaime Bolte, Michael Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2022-05-17 /pmc/articles/PMC9431775/ /pubmed/36072145 http://dx.doi.org/10.1107/S2056989022004972 Text en © Rivera et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Rivera, Augusto
Ríos-Motta, Jaime
Bolte, Michael
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431775/
https://www.ncbi.nlm.nih.gov/pubmed/36072145
http://dx.doi.org/10.1107/S2056989022004972
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