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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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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 |
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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 |
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