1-Carboxymethyl-3-methyl-1H-imidazol-3-ium chloride 2-(3-methyl-1H-imidazol-3-ium-1-yl)acetate monohydrate: a crystal stabilized by imidazolium zwitterions

International Union of Crystallography (IUCr) - Tập 69 Số 10 - Trang 1173-1176 - 2013
Heng Zhang1, Liangliang Chang1, Na Wang1, Xiaopeng Xuan1
1School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, 453007, People's Republic of China

Tóm tắt

The title compound, C6H9N2O2+·Cl−·C6H8N2O2·H2O, contains one 2-(3-methyl-1H-imidazol-3-ium-1-yl)acetate inner salt molecule, one 1-carboxymethyl-3-methyl-1H-imidazol-3-ium cation, one chloride ion and one water molecule. In the extended structure, chloride anions and water molecules are linkedviaO—H...Cl hydrogen bonds, forming an infinite one-dimensional chain. The chloride anions are also linked by two weak C—H...Cl interactions to neighbouring methylene groups and imidazole rings. Two imidazolium moieties form a homoconjugated cation through a strong and asymmetric O—H...O hydrogen bond of 2.472 (2) Å. The IR spectrum shows a continuous D-type absorption in the region below 1300 cm−1and is different to that of 1-carboxymethyl-3-methylimidazolium chloride [Xuan, Wang & Xue (2012).Spectrochim. Acta Part A,96, 436–443].

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International Union of Crystallography (IUCr)

Tập 69 Số 10

1173-1176

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