Information card for entry 2022807

Structure parameters

• Chemical name: <i>N</i>'-[(2-methylphenyl)methylidene]pyridine-4-carbohydrazide; benzoic acid
• Formula: C20 H17 N3 O3
• Calculated formula: C20 H17 N3 O3
• Title of publication: Co-crystallization of N′-benzylidenepyridine-4-carbohydrazide and benzoic acid via autoxidation of benzaldehyde
• Authors of publication: Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 8
• a: 11.7044 ± 0.0017 Å
• b: 7.8531 ± 0.001 Å
• c: 38.253 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3516.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes