Cargando…

Crystal structure of octane-1,8-diaminium 4,4′-(diazene-1,2-di­yl)dibenzoate monohydrate

The title salt, C(8)H(22)N(2) (2+)·C(14)H(8)N(2)O(4) (2−)·H(2)O, represents a pseudo-polymer ionic material, resulting from the self-organizing behavior of 4,4′-azinodibenzoate dianions and doubly protonated, 1,8-diaminium-octane cations in aqueous solution. The asymmetric unit consists of two halve...

Descripción completa

Detalles Bibliográficos
Autores principales: Elkin, Igor, Maris, Thierry, Christopherson, Jan-Constantin, Borchers, Tristan H., Barrett, Christopher J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947496/
https://www.ncbi.nlm.nih.gov/pubmed/29850100
http://dx.doi.org/10.1107/S2056989018006187
_version_ 1783322379645091840
author Elkin, Igor
Maris, Thierry
Christopherson, Jan-Constantin
Borchers, Tristan H.
Barrett, Christopher J.
author_facet Elkin, Igor
Maris, Thierry
Christopherson, Jan-Constantin
Borchers, Tristan H.
Barrett, Christopher J.
author_sort Elkin, Igor
collection PubMed
description The title salt, C(8)H(22)N(2) (2+)·C(14)H(8)N(2)O(4) (2−)·H(2)O, represents a pseudo-polymer ionic material, resulting from the self-organizing behavior of 4,4′-azinodibenzoate dianions and doubly protonated, 1,8-diaminium-octane cations in aqueous solution. The asymmetric unit consists of two halves of octane 1,8-diaminium cations (the complete cations are both generated by crystallographic inversion symmetry), a 4,4′-azinodibenzoate anion [dihedral angle between the aromatic rings = 10.22 (4)°] and a water mol­ecule of crystallization. One of the cations is in a fully extended linear conformation while the second one has a terminal C—C—C—N gauche conformation. In the crystal, the cations, anions and water mol­ecules are linked into a three-dimensional network via a complex pattern of charge-assisted N—H⋯O and O—H⋯O hydrogen bonds.
format Online
Article
Text
id pubmed-5947496
institution National Center for Biotechnology Information
language English
publishDate 2018
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-59474962018-05-30 Crystal structure of octane-1,8-diaminium 4,4′-(diazene-1,2-di­yl)dibenzoate monohydrate Elkin, Igor Maris, Thierry Christopherson, Jan-Constantin Borchers, Tristan H. Barrett, Christopher J. Acta Crystallogr E Crystallogr Commun Research Communications The title salt, C(8)H(22)N(2) (2+)·C(14)H(8)N(2)O(4) (2−)·H(2)O, represents a pseudo-polymer ionic material, resulting from the self-organizing behavior of 4,4′-azinodibenzoate dianions and doubly protonated, 1,8-diaminium-octane cations in aqueous solution. The asymmetric unit consists of two halves of octane 1,8-diaminium cations (the complete cations are both generated by crystallographic inversion symmetry), a 4,4′-azinodibenzoate anion [dihedral angle between the aromatic rings = 10.22 (4)°] and a water mol­ecule of crystallization. One of the cations is in a fully extended linear conformation while the second one has a terminal C—C—C—N gauche conformation. In the crystal, the cations, anions and water mol­ecules are linked into a three-dimensional network via a complex pattern of charge-assisted N—H⋯O and O—H⋯O hydrogen bonds. International Union of Crystallography 2018-04-27 /pmc/articles/PMC5947496/ /pubmed/29850100 http://dx.doi.org/10.1107/S2056989018006187 Text en © Elkin et al. 2018 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
Elkin, Igor
Maris, Thierry
Christopherson, Jan-Constantin
Borchers, Tristan H.
Barrett, Christopher J.
Crystal structure of octane-1,8-diaminium 4,4′-(diazene-1,2-di­yl)dibenzoate monohydrate
title Crystal structure of octane-1,8-diaminium 4,4′-(diazene-1,2-di­yl)dibenzoate monohydrate
title_full Crystal structure of octane-1,8-diaminium 4,4′-(diazene-1,2-di­yl)dibenzoate monohydrate
title_fullStr Crystal structure of octane-1,8-diaminium 4,4′-(diazene-1,2-di­yl)dibenzoate monohydrate
title_full_unstemmed Crystal structure of octane-1,8-diaminium 4,4′-(diazene-1,2-di­yl)dibenzoate monohydrate
title_short Crystal structure of octane-1,8-diaminium 4,4′-(diazene-1,2-di­yl)dibenzoate monohydrate
title_sort crystal structure of octane-1,8-diaminium 4,4′-(diazene-1,2-di­yl)dibenzoate monohydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947496/
https://www.ncbi.nlm.nih.gov/pubmed/29850100
http://dx.doi.org/10.1107/S2056989018006187
work_keys_str_mv AT elkinigor crystalstructureofoctane18diaminium44diazene12diyldibenzoatemonohydrate
AT maristhierry crystalstructureofoctane18diaminium44diazene12diyldibenzoatemonohydrate
AT christophersonjanconstantin crystalstructureofoctane18diaminium44diazene12diyldibenzoatemonohydrate
AT borcherstristanh crystalstructureofoctane18diaminium44diazene12diyldibenzoatemonohydrate
AT barrettchristopherj crystalstructureofoctane18diaminium44diazene12diyldibenzoatemonohydrate