Information card for entry 7232052

Structure parameters

• Common name: isonicotinamide
• Chemical name: 4-pyridinecarboxamide
• Formula: C6 H6 N2 O
• Calculated formula: C6 H6 N2 O
• Title of publication: A new polymorph of the common coformer isonicotinamide
• Authors of publication: Vicatos, Alexios I.; Caira, Mino R.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 843
• a: 9.888 ± 0.0012 Å
• b: 7.9929 ± 0.0009 Å
• c: 15.162 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1198.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No