Information card for entry 2224064

Structure parameters

• Chemical name: 4-Carbamoylpyridinium perchlorate
• Formula: C6 H7 Cl N2 O5
• Calculated formula: C6 H7 Cl N2 O5
• SMILES: Cl(=O)(=O)(=O)[O-].O=C(N)c1cc[nH+]cc1
• Title of publication: 4-Carbamoylpyridinium perchlorate
• Authors of publication: Chen, Li-Zhuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2626
• a: 10.935 ± 0.002 Å
• b: 10.082 ± 0.002 Å
• c: 8.2021 ± 0.0016 Å
• α: 90°
• β: 99.37 ± 0.03°
• γ: 90°
• Cell volume: 892.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes