Information card for entry 2239991

Structure parameters

• Chemical name: <i>N</i>'-Hydroxypyrimidine-2-carboximidamide
• Formula: C5 H6 N4 O
• Calculated formula: C5 H6 N4 O
• SMILES: ON=C(N)c1ncccn1
• Title of publication: Crystal structure of <i>N</i>'-hydroxypyrimidine-2-carboximidamide
• Authors of publication: Jasmine, Nithianantham Jeeva; Muthiah, Packianathan Thomas; Stanley, Nithianantham
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1107 - o1108
• a: 7.4066 ± 0.0007 Å
• b: 8.0165 ± 0.0008 Å
• c: 10.22 ± 0.0009 Å
• α: 90°
• β: 101.888 ± 0.006°
• γ: 90°
• Cell volume: 593.8 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0673
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes