Information card for entry 2207884

Structure parameters

• Chemical name: 2-Methoxybenzaldehyde isonicotinoylhydrazone
• Formula: C14 H13 N3 O2
• Calculated formula: C14 H13 N3 O2
• SMILES: O=C(N/N=C/c1ccccc1OC)c1ccncc1
• Title of publication: 2-Methoxybenzaldehyde isonicotinoylhydrazone
• Authors of publication: Yang, Song; Zhang, Shu-Ping; Wu, Ying-Ying; Shao, Si-Chang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o28 - o30
• a: 9.766 ± 0.002 Å
• b: 15.935 ± 0.004 Å
• c: 17.428 ± 0.004 Å
• α: 90°
• β: 95.404 ± 0.004°
• γ: 90°
• Cell volume: 2700.1 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2226
• Residual factor for significantly intense reflections: 0.1443
• Weighted residual factors for significantly intense reflections: 0.2408
• Weighted residual factors for all reflections included in the refinement: 0.2779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes