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Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD)–4-bromophenol (1/2)
The structure of the 1:2 co-crystalline adduct C(8)H(16)N(4)·2C(6)H(5)BrO, (I), from the solid-state reaction of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD) and 4-bromophenol, has been determined. The asymmetric unit of the title co-crystalline adduct comprises a half molecule of ami...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420134/ https://www.ncbi.nlm.nih.gov/pubmed/25995856 http://dx.doi.org/10.1107/S2056989015006684 |
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author | Rivera, Augusto Uribe, Juan Manuel Rojas, Jicli José Ríos-Motta, Jaime Bolte, Michael |
author_facet | Rivera, Augusto Uribe, Juan Manuel Rojas, Jicli José Ríos-Motta, Jaime Bolte, Michael |
author_sort | Rivera, Augusto |
collection | PubMed |
description | The structure of the 1:2 co-crystalline adduct C(8)H(16)N(4)·2C(6)H(5)BrO, (I), from the solid-state reaction of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD) and 4-bromophenol, has been determined. The asymmetric unit of the title co-crystalline adduct comprises a half molecule of aminal cage polyamine plus a 4-bromophenol molecule. A twofold rotation axis generates the other half of the adduct. The primary inter-species association in the title compound is through two intermolecular O—H⋯N hydrogen bonds. In the crystal, the adducts are linked by weak non-conventional C—H⋯O and C—H⋯Br hydrogen bonds, giving a two-dimensional supramolecular structure parallel to the bc plane. |
format | Online Article Text |
id | pubmed-4420134 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44201342015-05-20 Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD)–4-bromophenol (1/2) Rivera, Augusto Uribe, Juan Manuel Rojas, Jicli José Ríos-Motta, Jaime Bolte, Michael Acta Crystallogr E Crystallogr Commun Research Communications The structure of the 1:2 co-crystalline adduct C(8)H(16)N(4)·2C(6)H(5)BrO, (I), from the solid-state reaction of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD) and 4-bromophenol, has been determined. The asymmetric unit of the title co-crystalline adduct comprises a half molecule of aminal cage polyamine plus a 4-bromophenol molecule. A twofold rotation axis generates the other half of the adduct. The primary inter-species association in the title compound is through two intermolecular O—H⋯N hydrogen bonds. In the crystal, the adducts are linked by weak non-conventional C—H⋯O and C—H⋯Br hydrogen bonds, giving a two-dimensional supramolecular structure parallel to the bc plane. International Union of Crystallography 2015-04-09 /pmc/articles/PMC4420134/ /pubmed/25995856 http://dx.doi.org/10.1107/S2056989015006684 Text en © Rivera et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Rivera, Augusto Uribe, Juan Manuel Rojas, Jicli José Ríos-Motta, Jaime Bolte, Michael Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD)–4-bromophenol (1/2) |
title | Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD)–4-bromophenol (1/2) |
title_full | Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD)–4-bromophenol (1/2) |
title_fullStr | Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD)–4-bromophenol (1/2) |
title_full_unstemmed | Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD)–4-bromophenol (1/2) |
title_short | Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD)–4-bromophenol (1/2) |
title_sort | crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (tatd)–4-bromophenol (1/2) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420134/ https://www.ncbi.nlm.nih.gov/pubmed/25995856 http://dx.doi.org/10.1107/S2056989015006684 |
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