Abstract
In the title hydrated salt, CH6N3 +·C4H5O6 −·H2O, the deprotonated carboxyl group is disordered over two positions with a site-occupancy ratio of 0.945 (3):0.055 (3). The bond lengths in the guanidinium cation are intermediate between normal C—N and C=N bond lengths, indicating significant delocalization in this species. In the crystal structure, anions and water molecules are linked into sheets parallel to the ab plane by intermolecular O—H⋯O hydrogen bonds. The linking of the anions and water molecules with the cations by intermolecular N—H⋯O hydrogen bonds creates a three-dimensional network.
Highlights
In the title hydrated salt, CH6N3+C4H5O6H2O, the deprotonated carboxyl group is disordered over two positions with a site-occupancy ratio of 0.945 (3):0.055 (3)
H atoms treated by a mixture of independent and constrained refinement max = 0.49 e Å3
The bond lengths in the guanidinium cation are intermediate between normal C—
Summary
Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.001 Å; disorder in main residue; R factor = 0.034; wR factor = 0.093; data-to-parameter ratio = 17.4
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