Information card for entry 2218105

Structure parameters

• Chemical name: 5-Chloro-2-methoxyanilinium nitrate
• Formula: C7 H9 Cl N2 O4
• Calculated formula: C7 H9 Cl N2 O4
• SMILES: Clc1ccc(OC)c([NH3+])c1.O=N(=O)[O-]
• Title of publication: 5-Chloro-2-methoxyanilinium nitrate
• Authors of publication: Hemissi, Hanene; Abid, Sonia; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o801
• a: 10.681 ± 0.002 Å
• b: 9.474 ± 0.003 Å
• c: 9.802 ± 0.003 Å
• α: 90°
• β: 102.38 ± 0.03°
• γ: 90°
• Cell volume: 968.8 ± 0.5 ų
• Cell 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: 0.0736
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes