Information card for entry 7217759

Structure parameters

• Chemical name: ((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl) methylene)benzohydrazide
• Formula: C15 H15 N3 O3
• Calculated formula: C15 H15 N3 O3
• SMILES: C(=O)(c1ccccc1)N/N=C/c1c(cnc(c1O)C)CO
• Title of publication: Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions
• Authors of publication: Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 8.537 ± 0.004 Å
• b: 13.573 ± 0.005 Å
• c: 12.29 ± 0.005 Å
• α: 90°
• β: 90.66 ± 0.04°
• γ: 90°
• Cell volume: 1424 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No