Information card for entry 2235797

Structure parameters

• Chemical name: 6-Aminonicotinamide
• Formula: C6 H7 N3 O
• Calculated formula: C6 H7 N3 O
• SMILES: Nc1ccc(cn1)C(=O)N
• Title of publication: 6-Aminonicotinamide
• Authors of publication: Ntsala, Lerato P.; Lemmerer, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2449
• a: 14.3483 ± 0.0006 Å
• b: 4.8143 ± 0.0002 Å
• c: 9.6685 ± 0.0004 Å
• α: 90°
• β: 99.215 ± 0.002°
• γ: 90°
• Cell volume: 659.25 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes