Information card for entry 8104675

Structure parameters

• Chemical name: 2-hydroxybenzoic acid <i>N</i>'-(butan-2-ylidene)pyridine-4-carbohydrazide
• Formula: C17 H19 N3 O4
• Calculated formula: C17 H19 N3 O4
• Title of publication: The crystal structure of the co-crystal: 2-hydroxybenzoic acid – N′-(butan-2-ylidene)pyridine-4-carbohydrazide, C10H13N3O·C7H6O3
• Authors of publication: Setshedi, Itumeleng B.; Smith, Mark G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1093 - 1095
• a: 7.4038 ± 0.0009 Å
• b: 30.448 ± 0.003 Å
• c: 7.6744 ± 0.0008 Å
• α: 90°
• β: 112.013 ± 0.003°
• γ: 90°
• Cell volume: 1603.9 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No