Information card for entry 2220511

Structure parameters

• Common name: 2,5-xylidinium chloride monohydrate
• Chemical name: 2,5-Dimethylanilinium chloride monohydrate
• Formula: C8 H14 Cl N O
• Calculated formula: C8 H14 Cl N O
• SMILES: [Cl-].c1([NH3+])cc(ccc1C)C.O
• Title of publication: 2,5-Dimethylanilinium chloride monohydrate
• Authors of publication: Smirani, Wajda; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o83
• a: 7.515 ± 0.004 Å
• b: 7.441 ± 0.003 Å
• c: 9.019 ± 0.002 Å
• α: 90°
• β: 102.87 ± 0.03°
• γ: 90°
• Cell volume: 491.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes