Information card for entry 2206267

Structure parameters

• Chemical name: Ethyl 3-[(1,5-dimethylpyrazol-4-yl)carbonylhydrazino]butyrate
• Formula: C12 H18 N4 O3
• Calculated formula: C12 H18 N4 O3
• SMILES: O=C(N\N=C(/C)CC(=O)OCC)c1cnn(C)c1C
• Title of publication: Ethyl 3-[(1,5-dimethylpyrazol-4-yl)carbonylhydrazino]butyrate
• Authors of publication: Li-Rong Wen; Zi-Qin Ke; Bo Qu; Ming Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2018 - o2019
• a: 11.5212 ± 0.0018 Å
• b: 7.9018 ± 0.0012 Å
• c: 30.551 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2781.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No