Information card for entry 2312281

Structure parameters

• Chemical name: <i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2,5-dihydroxybenzoic acid
• Formula: C17 H19 N3 O5
• Calculated formula: C17 H19 N3 O5
• Title of publication: The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.
• Authors of publication: Scheepers, Matthew Clarke; Lemmerer, Andreas
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 9
• a: 9.2054 ± 0.0003 Å
• b: 11.5589 ± 0.0004 Å
• c: 15.6268 ± 0.0006 Å
• α: 92.383 ± 0.002°
• β: 93.092 ± 0.002°
• γ: 90.666 ± 0.002°
• Cell volume: 1658.74 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes