Information card for entry 2015880

Structure parameters

• Common name: nicotinamadium perchlorate
• Chemical name: 3-(aminocarbonyl)pyridinium perchlorate
• Formula: C6 H7 Cl N2 O5
• Calculated formula: C6 H7 Cl N2 O5
• SMILES: [nH+]1cc(C(=O)N)ccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Lamellar aggregation and hydrogen-bonding motifs in 3-(aminocarbonyl)pyridinium perchlorate and hydrogen oxalate
• Authors of publication: S. Athimoolam; S. Natarajan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o263 - o266
• a: 11.273 ± 0.005 Å
• b: 9.858 ± 0.004 Å
• c: 8.077 ± 0.005 Å
• α: 90°
• β: 99.43 ± 0.03°
• γ: 90°
• Cell volume: 885.5 ± 0.8 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: 0.111
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes