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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...

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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
Descripción
Sumario: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.