Information card for entry 2241588

Structure parameters

• Common name: Isonicotinamide Hydrochloride
• Chemical name: 4-Carbamoylpyridinium chloride
• Formula: C6 H7 Cl N2 O
• Calculated formula: C6 H7 Cl N2 O
• SMILES: [Cl-].c1cc(cc[nH+]1)C(=O)N
• Title of publication: Crystal structure of 4-carbamoylpyridinium chloride
• Authors of publication: Fellows, Simon M.; Prior, Timothy J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 436 - 439
• a: 24.96 ± 0.002 Å
• b: 5.1055 ± 0.0004 Å
• c: 12.4664 ± 0.0009 Å
• α: 90°
• β: 117.545 ± 0.005°
• γ: 90°
• Cell volume: 1408.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes