Information card for entry 2211104

Structure parameters

• Formula: C12 H10 N4 O
• Calculated formula: C12 H10 N4 O
• SMILES: O=C(N\N=C\c1ccncc1)c1ccncc1
• Title of publication: Pyridine-4-carbaldehyde isonicotinoylhydrazone
• Authors of publication: Yong-Tao Wang; Gui-Mei Tang; Wen-Zhu Wan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4926 - o4927
• a: 7.701 ± 0.0018 Å
• b: 14.657 ± 0.003 Å
• c: 10.238 ± 0.002 Å
• α: 90°
• β: 109.014 ± 0.004°
• γ: 90°
• Cell volume: 1092.5 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes