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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...

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Autores principales: Rivera, Augusto, Rojas, Jicli José, Osorio, Héctor Jairo, Ríos-Motta, Jaime, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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.
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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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