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Bis(dimethyl­ammonium) 3,3′-dicarb­oxy-5,5′-(5,7,12,14-tetra­oxo-6,13-diaza­tetra­cyclo­[6.6.2.0(4,16).0(11,15)]hexa­deca-1,3,8,10,15-penta­ene-6,13-di­yl)dibenzoate dihydrate

The title compound, 2C(2)H(8)N(+)·C(30)H(12)N(2)O(12) (2−)·2H(2)O, comprises dimethyl­ammonium cations, 3,3′-dicarb­oxy-5,5′-(5,7,12,14-tetra­oxo-6,13-diaza­tetra­cyclo­[6.6.2.0(4,16).0(11,15)]hexa­deca-1,3,8,10,15-penta­ene-6,13-di­yl)dibenzoate dianions and water mol­ecules. The dianion is situate...

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Detalles Bibliográficos
Autores principales: Xu, Lan-Ping, Qin, Lan, Han, Lei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393979/
https://www.ncbi.nlm.nih.gov/pubmed/22798844
http://dx.doi.org/10.1107/S1600536812025470
Descripción
Sumario:The title compound, 2C(2)H(8)N(+)·C(30)H(12)N(2)O(12) (2−)·2H(2)O, comprises dimethyl­ammonium cations, 3,3′-dicarb­oxy-5,5′-(5,7,12,14-tetra­oxo-6,13-diaza­tetra­cyclo­[6.6.2.0(4,16).0(11,15)]hexa­deca-1,3,8,10,15-penta­ene-6,13-di­yl)dibenzoate dianions and water mol­ecules. The dianion is situated on a crystallographic inversion centre. Two very strong symmetry-restricted O⋯H⋯O hydrogen bonds are present which are situated about the crystallographic inversion centres. In one of these hydrogen bonds, the H atom is situated at its centre, while in the other one the H atom is disordered about its centre. Both H atoms are involved in the chain-like C (2) (2)(16) motif, and not in a more common motif R (2) (2)(8) that is composed of a pair of hydrogen carboxyl­ates with the H atoms situated about the centre between the pair of O atoms. In the crystal, inter­action of these hydrogen bonds results in formation of anionic layers of dianions parallel to (-111). The water mol­ecules donate their H atoms to one of two of the carboxyl­ate O atoms, forming strong hydrogen bonds. The dimethyl­ammonium donates a bifurcated hydrogen bond to an oxo group of the dianion, forming weak hydrogen bonds. All the hydrogen bonds form a three-dimensional hydrogen-bonded network.