Bis(benzylaminium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate
Data(s) |
01/05/2012
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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 | |
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 |