Information card for entry 2215599

Structure parameters

• Chemical name: N'-Hydroxynicotinamidine
• Formula: C6 H7 N3 O
• Calculated formula: C6 H7 N3 O
• SMILES: ON=C(N)c1cccnc1
• Title of publication: <i>N</i>'-Hydroxynicotinamidine
• Authors of publication: Wang, Pin-liang; Li, Hai-ling; Zeng, Hai-su; Kang, Si-shun; Wang, Hai-bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4151 - o4151
• a: 5.522 ± 0.0011 Å
• b: 12.365 ± 0.003 Å
• c: 9.797 ± 0.002 Å
• α: 90°
• β: 94.38 ± 0.03°
• γ: 90°
• Cell volume: 667 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1088
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes