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Bis(benzyl­aminium) 4,5-dichloro­benzene-1,2-dicarboxyl­ate monohydrate

In the structure of the title salt, 2C(7)H(10)N(+)·C(8)H(2)Cl(2)O(4) (2−)·H(2)O, the two benzyl­aminium anions have different conformations, one being essentially planar and the other having the side chain rotated out of the benzene plane [minimum ring to side-chain C—C—C—N torsion angles = −3.6 (6)...

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Detalles Bibliográficos
Autores principales: Smith, Graham, Wermuth, Urs D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379483/
https://www.ncbi.nlm.nih.gov/pubmed/22719681
http://dx.doi.org/10.1107/S1600536812023458
Descripción
Sumario:In the structure of the title salt, 2C(7)H(10)N(+)·C(8)H(2)Cl(2)O(4) (2−)·H(2)O, the two benzyl­aminium anions have different conformations, one being essentially planar and the other having the side chain rotated out of the benzene plane [minimum ring to side-chain C—C—C—N torsion angles = −3.6 (6) and 50.1 (5)°, respectively]. In the 4,5-dichloro­phthalate dianion, the carboxyl­ate groups make dihedral angles of 23.0 (2) and 76.5 (2)° with the benzene ring. In the crystal, aminium N—H⋯O and water O—H⋯O hydrogen-bonding associations with carboxyl­ate O-atom acceptors give a two-dimensional duplex sheet structure which extends along the (011) plane. Weak π–π inter­actions are also present between the benzene ring of the dianion and one of the cation rings [minimum ring centroid separation = 2.749 (3) Å].