Information card for entry 2213745

Structure parameters

• Chemical name: Dimethyl 1<i>H</i>-pyrazole-3,5-dicarboxylate
• Formula: C7 H8 N2 O4
• Calculated formula: C7 H8 N2 O4
• Title of publication: Dimethyl 1<i>H</i>-pyrazole-3,5-dicarboxylate
• Authors of publication: Jun-Ping Xiao; Qing-Xiang Zhou; Jia-Hongwen Tu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2785 - o2785
• a: 10.9563 ± 0.0014 Å
• b: 6.4983 ± 0.0008 Å
• c: 23.589 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1679.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes