Information card for entry 2216894

Structure parameters

• Common name: Nicotinohydrazide
• Chemical name: pyridine-3-carbohydrazide
• Formula: C6 H7 N3 O
• Calculated formula: C6 H7 N3 O
• SMILES: O=C(NN)c1cnccc1
• Title of publication: Nicotinohydrazide
• Authors of publication: Portalone, Gustavo; Marcello Colapietro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o304 - o304
• a: 3.8727 ± 0.001 Å
• b: 10.481 ± 0.002 Å
• c: 15.855 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 643.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes