Information card for entry 2008677

Structure parameters

• Formula: C5 H8 N2 O3
• Calculated formula: C5 H8 N2 O3
• Title of publication: Imidazole-4-acetic acid monohydrate
• Authors of publication: Okabe, Nobuo; Hayashi,Tomomi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1142 - 1144
• a: 9.968 ± 0.003 Å
• b: 4.475 ± 0.002 Å
• c: 14.906 ± 0.002 Å
• α: 90°
• β: 93.52 ± 0.02°
• γ: 90°
• Cell volume: 663.7 ± 0.4 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No