Information card for entry 2207139

Structure parameters

• Chemical name: 2-Hydroxy-3-methoxybenzaldehyde (pyridine-2-carbonyl)hydrazone
• Formula: C14 H13 N3 O3
• Calculated formula: C14 H13 N3 O3
• SMILES: N(\N=C\c1c(O)c(OC)ccc1)C(=O)c1ncccc1
• Title of publication: 2-Hydroxy-3-methoxybenzaldehyde (pyridine-2-carbonyl)hydrazone
• Authors of publication: Liu, Ming-Li; Dou, Jian-Min; Wang, Da-Qi; Li, Da-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3876 - o3878
• a: 16.534 ± 0.005 Å
• b: 7.538 ± 0.002 Å
• c: 11.228 ± 0.003 Å
• α: 90°
• β: 108.554 ± 0.005°
• γ: 90°
• Cell volume: 1326.6 ± 0.6 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: 0.0952
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes