Information card for entry 2203819

Structure parameters

• Formula: C10 H12 N4 O5
• Calculated formula: C10 H12 N4 O5
• SMILES: O=C1OCCN1C(=O)c1n(nc(c1N(=O)=O)CC)C
• Title of publication: 3-(5-Ethyl-2-methyl-4-nitro-2<i>H</i>-pyrazole-3-carbonyl)oxazolidin-2-one
• Authors of publication: Cheng-Xia Tan; Jian-Ming Gu; De-Long Shen; Jian-Quan Weng; De-Fang Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1084 - o1085
• a: 15.2175 ± 0.0003 Å
• b: 5.297 ± 0.0001 Å
• c: 15.8185 ± 0.0003 Å
• α: 90°
• β: 104.893 ± 0.004°
• γ: 90°
• Cell volume: 1232.25 ± 0.05 ų
• Cell temperature: 293 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes