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Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chlorophenol (1/2)
In the title compound, C(7)H(14)N(4)·2C(6)H(5)ClO, which crystallized with two crystallographically independent 4-chlorophenol molecules and one 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) molecule in the asymmetric unit, the independent components are linked by two O—H⋯N hydrogen b...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095853/ https://www.ncbi.nlm.nih.gov/pubmed/27840728 http://dx.doi.org/10.1107/S2056989016016546 |
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author | Rivera, Augusto Rojas, Jicli José Osorio, Héctor Jairo Ríos-Motta, Jaime Bolte, Michael |
author_facet | Rivera, Augusto Rojas, Jicli José Osorio, Héctor Jairo Ríos-Motta, Jaime Bolte, Michael |
author_sort | Rivera, Augusto |
collection | PubMed |
description | In the title compound, C(7)H(14)N(4)·2C(6)H(5)ClO, which crystallized with two crystallographically independent 4-chlorophenol molecules and one 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) molecule in the asymmetric unit, the independent components are linked by two O—H⋯N hydrogen bonds. The hydrogen-bond acceptor sites are two non-equivalent N atoms from the aminal cage structure, and the tricyclic system distorts by changing the C—N bond lengths. In the crystal, these hydrogen-bonded aggregates are linked into chains along the c axis by C—H⋯N hydrogen bonds. The crystal structure also features C—H⋯π contacts. |
format | Online Article Text |
id | pubmed-5095853 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-50958532016-11-11 Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chlorophenol (1/2) Rivera, Augusto Rojas, Jicli José Osorio, Héctor Jairo Ríos-Motta, Jaime Bolte, Michael Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(7)H(14)N(4)·2C(6)H(5)ClO, which crystallized with two crystallographically independent 4-chlorophenol molecules and one 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) molecule in the asymmetric unit, the independent components are linked by two O—H⋯N hydrogen bonds. The hydrogen-bond acceptor sites are two non-equivalent N atoms from the aminal cage structure, and the tricyclic system distorts by changing the C—N bond lengths. In the crystal, these hydrogen-bonded aggregates are linked into chains along the c axis by C—H⋯N hydrogen bonds. The crystal structure also features C—H⋯π contacts. International Union of Crystallography 2016-10-25 /pmc/articles/PMC5095853/ /pubmed/27840728 http://dx.doi.org/10.1107/S2056989016016546 Text en © Rivera et al. 2016 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 Rojas, Jicli José Osorio, Héctor Jairo Ríos-Motta, Jaime Bolte, Michael Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chlorophenol (1/2) |
title | Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chlorophenol (1/2) |
title_full | Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chlorophenol (1/2) |
title_fullStr | Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chlorophenol (1/2) |
title_full_unstemmed | Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chlorophenol (1/2) |
title_short | Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chlorophenol (1/2) |
title_sort | crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (tatu) and 4-chlorophenol (1/2) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095853/ https://www.ncbi.nlm.nih.gov/pubmed/27840728 http://dx.doi.org/10.1107/S2056989016016546 |
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