Information card for entry 8105618

Structure parameters

• Chemical name: ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
• Formula: C11 H12 N4 O2
• Calculated formula: C11 H12 N4 O2
• Title of publication: Crystal structure of ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, C11H12N4O2
• Authors of publication: Feng, Zhiqiang; Liu, Yujie; He, Yuxuan; Sha, Wenjing; Tang, Jie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 281 - 283
• a: 16.146 ± 0.005 Å
• b: 14.653 ± 0.004 Å
• c: 14.621 ± 0.004 Å
• α: 90°
• β: 106.052 ± 0.008°
• γ: 90°
• Cell volume: 3324.3 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No