Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1(3,8)]dodecane (TATD)–4-iodo­phenol (1/2): supra­molecular assembly mediated by halogen and hydrogen bonding

The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetra­aza­tri­cyclo[4.4.1.1(3,8)]dodecane (TATD)–4-iodo­phenol (1/2), C(8)H(16)N(4)·2C(6)H(5)IO, comprises a half mol­ecule of the aminal cage polyamine plus a 4-iodo­phenol mol­ecule. A twofold rotation axis generates the other half of...

Descripción completa

Detalles Bibliográficos
Autores principales: Rivera, Augusto, Rojas, Jicli José, Ríos-Motta, Jaime, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683492/
https://www.ncbi.nlm.nih.gov/pubmed/29152352
http://dx.doi.org/10.1107/S2056989017014943
_version_ 1783278292493664256
author Rivera, Augusto
Rojas, Jicli José
Ríos-Motta, Jaime
Bolte, Michael
author_facet Rivera, Augusto
Rojas, Jicli José
Ríos-Motta, Jaime
Bolte, Michael
author_sort Rivera, Augusto
collection PubMed
description The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetra­aza­tri­cyclo[4.4.1.1(3,8)]dodecane (TATD)–4-iodo­phenol (1/2), C(8)H(16)N(4)·2C(6)H(5)IO, comprises a half mol­ecule of the aminal cage polyamine plus a 4-iodo­phenol mol­ecule. A twofold rotation axis generates the other half of the adduct. The components are linked by two inter­molecular O—H⋯N hydrogen bonds. The adducts are further linked into a three-dimensional framework structure by a combination of N⋯I halogen bonds and weak non-conventional C—H⋯O and C—H⋯I hydrogen bonds.
format Online
Article
Text
id pubmed-5683492
institution National Center for Biotechnology Information
language English
publishDate 2017
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-56834922017-11-17 Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1(3,8)]dodecane (TATD)–4-iodo­phenol (1/2): supra­molecular assembly mediated by halogen and hydrogen bonding Rivera, Augusto Rojas, Jicli José Ríos-Motta, Jaime Bolte, Michael Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetra­aza­tri­cyclo[4.4.1.1(3,8)]dodecane (TATD)–4-iodo­phenol (1/2), C(8)H(16)N(4)·2C(6)H(5)IO, comprises a half mol­ecule of the aminal cage polyamine plus a 4-iodo­phenol mol­ecule. A twofold rotation axis generates the other half of the adduct. The components are linked by two inter­molecular O—H⋯N hydrogen bonds. The adducts are further linked into a three-dimensional framework structure by a combination of N⋯I halogen bonds and weak non-conventional C—H⋯O and C—H⋯I hydrogen bonds. International Union of Crystallography 2017-10-20 /pmc/articles/PMC5683492/ /pubmed/29152352 http://dx.doi.org/10.1107/S2056989017014943 Text en © Rivera et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Rivera, Augusto
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-iodo­phenol (1/2): supra­molecular assembly mediated by halogen and hydrogen bonding
title Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1(3,8)]dodecane (TATD)–4-iodo­phenol (1/2): supra­molecular assembly mediated by halogen and hydrogen bonding
title_full Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1(3,8)]dodecane (TATD)–4-iodo­phenol (1/2): supra­molecular assembly mediated by halogen and hydrogen bonding
title_fullStr Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1(3,8)]dodecane (TATD)–4-iodo­phenol (1/2): supra­molecular assembly mediated by halogen and hydrogen bonding
title_full_unstemmed Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1(3,8)]dodecane (TATD)–4-iodo­phenol (1/2): supra­molecular assembly mediated by halogen and hydrogen bonding
title_short Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1(3,8)]dodecane (TATD)–4-iodo­phenol (1/2): supra­molecular assembly mediated by halogen and hydrogen bonding
title_sort crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1(3,8)]dodecane (tatd)–4-iodo­phenol (1/2): supra­molecular assembly mediated by halogen and hydrogen bonding
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683492/
https://www.ncbi.nlm.nih.gov/pubmed/29152352
http://dx.doi.org/10.1107/S2056989017014943
work_keys_str_mv AT riveraaugusto crystalstructureofthecocrystallineadduct1368tetraazatricyclo441138dodecanetatd4iodophenol12supramolecularassemblymediatedbyhalogenandhydrogenbonding
AT rojasjiclijose crystalstructureofthecocrystallineadduct1368tetraazatricyclo441138dodecanetatd4iodophenol12supramolecularassemblymediatedbyhalogenandhydrogenbonding
AT riosmottajaime crystalstructureofthecocrystallineadduct1368tetraazatricyclo441138dodecanetatd4iodophenol12supramolecularassemblymediatedbyhalogenandhydrogenbonding
AT boltemichael crystalstructureofthecocrystallineadduct1368tetraazatricyclo441138dodecanetatd4iodophenol12supramolecularassemblymediatedbyhalogenandhydrogenbonding

Ejemplares similares