1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid dihydrate
✍ Scribed by Wu, Hai-Qiang ;Liu, Zhi-Gang ;Ng, Seik Weng
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 249 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The hydrolysis of ethyl 1-methyl-4-nitro-1H-imidazole-2carboxylate leads to 1-methyl-4-nitro-1H-imidazol-2carboxylic acid, which crystallizes as a dihydrate, C 5 H 5 N 3 O 4 Á2H 2 O. The planar organic entity is a flat molecule; the molecules are linked through the water molecules by hydrogen bonding into a three-dimensional network.
📜 SIMILAR VOLUMES
In the title compound, C 10 H 8 N 4 O 4 , two planar fragments, viz. the imidazole and nitrophenyl rings, are tilted at a dihedral of 57.89 (7) . The nitro groups are twisted with respect to the neighbouring ring planes; the dihedral angle is 7.0 (3) for imidazole and 9.68 (8) for benzene. The cryst
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.002 A Ê Disorder in main residue R factor = 0.038 wR factor = 0.124 Data-to-parameter ratio = 11.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.