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


Autoria(s): Smith, Graham; Wermuth, Urs D.
Data(s)

01/05/2012

Resumo

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.

Formato

application/pdf

Identificador

http://eprints.qut.edu.au/50708/

Publicador

Wiley-Blackwell Publishing, Inc.

Relação

http://eprints.qut.edu.au/50708/1/DCPABZA.PDF

DOI:10.1107/S1600536812023458

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.

Direitos

Copyright 2012 The authors

Open Access

Fonte

School of Chemistry, Physics & Mechanical Engineering; Science & Engineering Faculty

Palavras-Chave #crystal structure #proton-transfer #4,5-dichlorophthalic acid #hydrogen-bonding
Tipo

Journal Article