Bis(benzyl-aminium) 4,5-dichloro-benzene-1,2-dicarboxyl-ate monohydrate.

ABSTRACT: 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].

SUBMITTER: Smith G 

PROVIDER: S-EPMC3379483 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature