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

Smith, Graham & Wermuth, Urs D. (2012) Bis(benzylaminium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate. Acta Crystallographica. Section E: Structure Reports Online, 68(6), o1928-o1928.

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In the structure of the title salt 2C7H10N+.C8H2Cl2O4(2-) .H2O the two benzylaminium anions have different conformations, one being essentially planar 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 carboxyl groups make ihedral angles of 23.0(2) and 76.5(2)\% with the benzene ring. Aminium N-H...O and water O-H...O hydrogen-bonding associations with carboxyl O-atom acceptors give a two-dimensional duplex sheet structure which extends along the (011) plane. Weak pi-pi interactions are also present between the benzene ring and one of the cation rings [minimum ring centroid separation = 3.749(3)Ang.

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ID Code: 50708
Item Type: Journal Article
Refereed: Yes
Keywords: crystal structure, proton-transfer, 4,5-dichlorophthalic acid, hydrogen-bonding
DOI: 10.1107/S1600536812023458
ISSN: 1600-5368
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2012 The authors
Copyright Statement: Open Access
Deposited On: 31 May 2012 22:21
Last Modified: 17 Jun 2012 11:42

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