Information card for entry 2201395

Structure parameters

• Common name: Satranidazole
• Chemical name: 3-(1-Methyl-5-nitroimidazol-2-yl)-1-methylsulfonyl-imidazolidin-2-one
• Formula: C8 H11 N5 O5 S
• Calculated formula: C8 H11 N5 O5 S
• SMILES: S(=O)(=O)(N1C(=O)N(CC1)c1n(c(cn1)N(=O)=O)C)C
• Title of publication: 3-(1-Methyl-5-nitroimidazol-2-yl)-1-(methylsulfonyl)imidazolidin-2-one
• Authors of publication: Lakshminarasimhan Damodharan; Vasantha Pattabhi; Kuppuswamy Nagarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1136 - o1138
• a: 7.046 ± 0.002 Å
• b: 19.566 ± 0.006 Å
• c: 8.743 ± 0.002 Å
• α: 90°
• β: 90 ± 0.02°
• γ: 90°
• Cell volume: 1205.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes