Information card for entry 8105190

Structure parameters

• Formula: C4 H7 N3 O3
• Calculated formula: C4 H7 N3 O3
• Title of publication: The crystal structure of 1-methyl-1H-pyrazol-2-ium nitrate, C4H7O3N3
• Authors of publication: Cong, Chen; Yun, Xiao; Chong, Li; LiZhen, Chen; Jianlong, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 237 - 238
• a: 14.2289 ± 0.001 Å
• b: 6.1881 ± 0.0004 Å
• c: 7.5592 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 665.59 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0619
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No