Information card for entry 8105958

Structure parameters

• Chemical name: ethyl 3-(4-methoxyphenyl)-5-methylcarbamoyl-1<i>H</i>-pyrazole-4-carboxylate
• Formula: C15 H17 N3 O4
• Calculated formula: C15 H17 N3 O4
• Title of publication: Crystal structure of ethyl 3-(4-methoxyphenyl)-5-methylcarbamoyl-1H-pyrazole-4-carboxylate, C15H17N3O4
• Authors of publication: Rashid, Fatin Nur Ain Abdul; Mohammat, Mohd Fazli; Arshad, Suhana; Shaameri, Zurina; Hamzah, Ahmad Sazali
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1137 - 1139
• a: 10.5986 ± 0.0005 Å
• b: 11.5298 ± 0.0005 Å
• c: 13.5386 ± 0.0006 Å
• α: 102.694 ± 0.001°
• β: 102.999 ± 0.001°
• γ: 108.918 ± 0.001°
• Cell volume: 1446.03 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No