Brucinium 2-carboxy-6-nitrophthalate dihydrate: the 1:1 proton-transfer compound of brucine with 3-nitrophthalic acid
Smith, Graham, Wermuth, Urs D., Young, David J., & Healy, Peter C. (2005) Brucinium 2-carboxy-6-nitrophthalate dihydrate: the 1:1 proton-transfer compound of brucine with 3-nitrophthalic acid. Acta Crystallographica. Section E: Structure Reports Online, 61(7), o2008 -o2011.
In the title compound (systematic name: 2,3-dimethoxy-10-oxostrychnidinium 2-carboxy-6-nitrophthalate dihydrate), C23H27N2O4+·C8H4NO6-·2H2O, the carboxylic acid and carboxylate groups of the hydrogenphthalate anions form head-to-tail catemeric chains of strong intermolecular O-HO hydrogen bonds [OO distance = 2.563 (5) Å] along the 21 screw axes parallel to the a axis. The chains further associate with the water molecules, forming sheet structures parallel to (010). The protonated N atom at the 19-position of the brucine molecule forms a peripheral intermolecular hydrogen bond with the carboxylate group of the anion.
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|Item Type:||Journal Article|
|Divisions:||Past > QUT Faculties & Divisions > Faculty of Science and Technology|
|Copyright Owner:||Copyright 2005 International Union of Crystallography (IUCr)|
|Copyright Statement:||Reproduced in accordance with the copyright policy of the publisher.|
|Deposited On:||25 Mar 2008 00:00|
|Last Modified:||29 Feb 2012 13:16|
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