Information card for entry 2215139

Structure parameters

• Chemical name: 2-Methylanilinium chloride monohydrate
• Formula: C7 H12 Cl N O
• Calculated formula: C7 H12 Cl N O
• SMILES: [NH3+]c1ccccc1C.O.[Cl-]
• Title of publication: 2-Methylanilinium chloride monohydrate
• Authors of publication: Benslimane, Meriem; Merazig, Hocine; Bouacida, Sofiane; Dembri, Sabrina; Beghidja, Adel; Ouahab, Lahcène
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3682 - o3683
• a: 8.1871 ± 0.0005 Å
• b: 7.4046 ± 0.0004 Å
• c: 14.7415 ± 0.0005 Å
• α: 90°
• β: 94.6 ± 0.004°
• γ: 90°
• Cell volume: 890.78 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes