Information card for entry 2312277

Structure parameters

• Chemical name: <i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 1-naphthoic acid
• Formula: C21 H21 N3 O3
• Calculated formula: C21 H21 N3 O3
• 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: 7.4355 ± 0.0013 Å
• b: 34.195 ± 0.006 Å
• c: 7.7242 ± 0.0014 Å
• α: 90°
• β: 112.512 ± 0.004°
• γ: 90°
• Cell volume: 1814.3 ± 0.6 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: 0.0725
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes