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4-Carb-oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl-ate monohydrate.

Guo YP - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated.The organic mol-ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å.In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into chains along the b axis; these chains are further linked via O-H⋯O hydrogen bonds involving the water O atoms and carboxyl O atoms, generating a two-dimensional supra-molecular framework.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Pharmacy, Jiangxi Science and Technology Normal University, Jiangxi 330013, People's Republic of China.

ABSTRACT
In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic mol-ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into chains along the b axis; these chains are further linked via O-H⋯O hydrogen bonds involving the water O atoms and carboxyl O atoms, generating a two-dimensional supra-molecular framework.

No MeSH data available.


Packing diagram of the title structure, showing the intermolecular N—H···O and O—H···O hydrogen bonds as dashed lines. Methyl H atoms are omitted for clarity.
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Fap2: Packing diagram of the title structure, showing the intermolecular N—H···O and O—H···O hydrogen bonds as dashed lines. Methyl H atoms are omitted for clarity.


4-Carb-oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl-ate monohydrate.

Guo YP - Acta Crystallogr Sect E Struct Rep Online (2008)

Packing diagram of the title structure, showing the intermolecular N—H···O and O—H···O hydrogen bonds as dashed lines. Methyl H atoms are omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2967941&req=5

Fap2: Packing diagram of the title structure, showing the intermolecular N—H···O and O—H···O hydrogen bonds as dashed lines. Methyl H atoms are omitted for clarity.
Bottom Line: In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated.The organic mol-ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å.In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into chains along the b axis; these chains are further linked via O-H⋯O hydrogen bonds involving the water O atoms and carboxyl O atoms, generating a two-dimensional supra-molecular framework.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Pharmacy, Jiangxi Science and Technology Normal University, Jiangxi 330013, People's Republic of China.

ABSTRACT
In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic mol-ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into chains along the b axis; these chains are further linked via O-H⋯O hydrogen bonds involving the water O atoms and carboxyl O atoms, generating a two-dimensional supra-molecular framework.

No MeSH data available.