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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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
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author Al-Dajani, Mohammad T. M.
Abdallah, Hassan H.
Mohamed, Nornisah
Goh, Jia Hao
Fun, Hoong-Kun
author_facet Al-Dajani, Mohammad T. M.
Abdallah, Hassan H.
Mohamed, Nornisah
Goh, Jia Hao
Fun, Hoong-Kun
author_sort Al-Dajani, Mohammad T. M.
collection PubMed
description 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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spelling pubmed-29704412010-12-30 Guanidinium 3-carb­oxy-2,3-dihydroxy­propanoate monohydrate Al-Dajani, Mohammad T. M. Abdallah, Hassan H. Mohamed, Nornisah Goh, Jia Hao Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2009-09-19 /pmc/articles/PMC2970441/ /pubmed/21577956 http://dx.doi.org/10.1107/S1600536809037313 Text en © Al-Dajani et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Al-Dajani, Mohammad T. M.
Abdallah, Hassan H.
Mohamed, Nornisah
Goh, Jia Hao
Fun, Hoong-Kun
Guanidinium 3-carb­oxy-2,3-dihydroxy­propanoate monohydrate
title Guanidinium 3-carb­oxy-2,3-dihydroxy­propanoate monohydrate
title_full Guanidinium 3-carb­oxy-2,3-dihydroxy­propanoate monohydrate
title_fullStr Guanidinium 3-carb­oxy-2,3-dihydroxy­propanoate monohydrate
title_full_unstemmed Guanidinium 3-carb­oxy-2,3-dihydroxy­propanoate monohydrate
title_short Guanidinium 3-carb­oxy-2,3-dihydroxy­propanoate monohydrate
title_sort guanidinium 3-carb­oxy-2,3-dihydroxy­propanoate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970441/
https://www.ncbi.nlm.nih.gov/pubmed/21577956
http://dx.doi.org/10.1107/S1600536809037313
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