Information card for entry 2200042

Structure parameters

• Chemical name: 4-Methoxy-3-nitropyridinium chloride
• Formula: C6 H7 Cl N2 O3
• Calculated formula: C6 H7 Cl N2 O3
• SMILES: [Cl-].[nH+]1cc(N(=O)=O)c(OC)cc1
• Title of publication: 4-Methoxy-3-nitropyridinium chloride
• Authors of publication: Lynch, Daniel E.; McClenaghan, Ian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o83 - o84
• a: 10.6185 ± 0.0004 Å
• b: 7.1517 ± 0.0004 Å
• c: 11.3701 ± 0.0005 Å
• α: 90°
• β: 111.523 ± 0.003°
• γ: 90°
• Cell volume: 803.24 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes