biostudies-literatureUnknown68(Pt 6)Smith GIn 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 benzyl-aminium 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-dichloro-phthalate dianion, the carboxyl-ate 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 carboxyl-ate O-atom acceptors give a two-dimensional duplex sheet structure which extends along the (011) plane. Weak ?-? inter-actions are also present between the benzene ring of the dianion and one of the cation rings [minimum ring centroid separation = 2.749?(3)?Å].Acta crystallographica. Section E, Structure reports onlineo1928https://www.ebi.ac.uk/biostudies/studies/S-EPMC3379483biostudies-literatureBis(benzyl-aminium) 4,5-dichloro-benzene-1,2-dicarboxyl-ate monohydrate.PMC3379483Wermuth UDSmith GfalseBis(benzyl-aminium) 4,5-dichloro-benzene-1,2-dicarboxyl-ate 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 benzyl-aminium 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-dichloro-phthalate dianion, the carboxyl-ate 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 carboxyl-ate O-atom acceptors give a two-dimensional duplex sheet structure which extends along the (011) plane. Weak ?-? inter-actions are also present between the benzene ring of the dianion and one of the cation rings [minimum ring centroid separation = 2.749?(3)?Å].2012-01-01T00:00:00Z2012 Jun2021-02-21T08:50:17Z2019-03-27T00:54:44ZS-EPMC33794832271968110.1107/S1600536812023458