Guanidinium 3-carb­oxy-2,3-dihydroxy­propanoate monohydrate

In the title hydrated salt, CH(6)N(3) (+)·C(4)H(5)O(6) (−)·H(2)O, 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 sign...

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Detalles Bibliográficos
Autores principales: Al-Dajani, Mohammad T. M., Abdallah, Hassan H., Mohamed, Nornisah, Goh, Jia Hao, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970441/
https://www.ncbi.nlm.nih.gov/pubmed/21577956
http://dx.doi.org/10.1107/S1600536809037313
Descripción
Sumario:In the title hydrated salt, CH(6)N(3) (+)·C(4)H(5)O(6) (−)·H(2)O, 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.

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