Information card for entry 2003719

Structure parameters

• Common name: Carnidazole
• Chemical name: O-Methyl[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]thiocarbamate
• Formula: C8 H12 N4 O3 S
• Calculated formula: C8 H12 N4 O3 S
• Title of publication: Anhydrous Form of Carnidazole, C~8~H~12~N~4~O~3~S
• Authors of publication: Bernardinelli, G.; Berclaz, T.; Geoffroy, M.; Rajalakshmi, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1390 - 1392
• a: 7.304 ± 0.001 Å
• b: 15.437 ± 0.003 Å
• c: 10.65 ± 0.004 Å
• α: 90°
• β: 109.47 ± 0.01°
• γ: 90°
• Cell volume: 1132.1 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.032
• Goodness-of-fit parameter for all reflections: 3.06
• Goodness-of-fit parameter for significantly intense reflections: 2
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No