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Guanidinium 2-carboxy-6-nitrobenzoate monohydrate: A two-dimensional hydrogen-bonded network structure

Smith, Graham, Wermuth, Urs D., & White, Jonathan M. (2007) Guanidinium 2-carboxy-6-nitrobenzoate monohydrate: A two-dimensional hydrogen-bonded network structure. Acta Crystallographica. Section E: Structure Reports Online, E63(8), o3527-o3528.

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Abstract

In the structure of the title compound, CH6N3+ . C8H4NO6- . H2O, obtained from the reaction of guanidine carbonate with 3-nitrophthalic acid, the 2-carboxylic acid group is deprotonated and participates in an asymmetric cyclic R2/1(6) hydrogen-bonding associatiuon with the guanidine cation together with a bridging water molecule of solvation. A conjoint R2/1(7) facial association involving a nitro O-atom acceptor together with a further five guanidinium N-H...O hydrogen bonds, as well as a strong carboxyl-water interaction [2.528(3) Ang.], give a two-dimensiional network structure.

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ID Code: 8789
Item Type: Journal Article
Keywords: crystal structure, guanidine
DOI: 10.1107/S1600536807034356
ISSN: 1600-5368
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)
Divisions: Past > QUT Faculties & Divisions > Faculty of Science and Technology
Copyright Owner: Copyright 2007 International Union of Crystallography
Copyright Statement: Reproduced in accordance with the copyright policy of the publisher.
Deposited On: 26 Jul 2007
Last Modified: 29 Feb 2012 23:38

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