Information card for entry 7135122

Structure parameters

• Common name: pyridine-4-carboxamide
• Chemical name: Isonicotinamide
• Formula: C6 H6 N2 O
• Calculated formula: C6 H6 N2 O
• Title of publication: Design and synthesis of ternary multi-component crystals by sublimation.
• Authors of publication: Scheepers, Matthew C.; Haynes, Delia A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• a: 15.999 ± 0.013 Å
• b: 8.007 ± 0.006 Å
• c: 9.943 ± 0.008 Å
• α: 90°
• β: 105.312 ± 0.013°
• γ: 90°
• Cell volume: 1228.5 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1183
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.2495
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No