Information card for entry 8104980

Structure parameters

• Formula: C16 H15 N3 O3
• Calculated formula: C16 H15 N3 O3
• Title of publication: The crystal structure of 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinylidene]butanoic acid, C16H15N3O3
• Authors of publication: Setshedi, Itumeleng B.; Smith, Mark G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 133 - 134
• a: 9.4957 ± 0.0003 Å
• b: 18.2275 ± 0.0005 Å
• c: 9.0896 ± 0.0003 Å
• α: 90°
• β: 114.372 ± 0.001°
• γ: 90°
• Cell volume: 1433.05 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No