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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...

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Autores principales: Rivera, Augusto, Uribe, Juan Manuel, Rojas, Jicli José, Ríos-Motta, Jaime, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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