Information card for entry 8106362

Structure parameters

• Formula: C6 H8 N4 O
• Calculated formula: C6 H8 N4 O
• Title of publication: Crystal structure of 5-methylpyrazine-2-carbohydrazide, C6H8N4O
• Authors of publication: Gao, Liang-Liang; Zhao, Xiao-Lei; Wu, Wei-Na
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 959 - 960
• a: 8.019 ± 0.005 Å
• b: 9.99 ± 0.006 Å
• c: 9.05 ± 0.006 Å
• α: 90°
• β: 98.474 ± 0.01°
• γ: 90°
• Cell volume: 717.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No