Information card for entry 2217187

Structure parameters

• Chemical name: 2'-(3-Hydroxybenzylidene)pyrazine-2-carbohydrazide monohydrate
• Formula: C12 H12 N4 O3
• Calculated formula: C12 H12 N4 O3
• SMILES: O=C(N/N=C/c1cccc(O)c1)c1nccnc1.O
• Title of publication: 2'-(3-Hydroxybenzylidene)pyrazine-2-carbohydrazide monohydrate
• Authors of publication: Lei He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o82 - o82
• a: 8.062 ± 0.003 Å
• b: 8.186 ± 0.003 Å
• c: 9.449 ± 0.003 Å
• α: 95.122 ± 0.006°
• β: 103.169 ± 0.006°
• γ: 99.827 ± 0.007°
• Cell volume: 592.9 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes