Information card for entry 2210412

Structure parameters

• Chemical name: Pyrazine-2-carbohydrazide
• Formula: C5 H6 N4 O
• Calculated formula: C5 H6 N4 O
• SMILES: n1c(cncc1)C(=O)NN
• Title of publication: Pyrazine-2-carbohydrazide: a three-dimensional hydrogen-bonded framework structure
• Authors of publication: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3765 - o3767
• a: 3.7193 ± 0.0005 Å
• b: 16.978 ± 0.002 Å
• c: 9.7858 ± 0.001 Å
• α: 90°
• β: 99.185 ± 0.008°
• γ: 90°
• Cell volume: 610.01 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1384
• 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: No
• Has Fobs: Yes