Information card for entry 2232575

Structure parameters

• Chemical name: 2,4-dimethylanilinium chloride
• Formula: C8 H12 Cl N
• Calculated formula: C8 H12 Cl N
• SMILES: Cc1cc(C)c([NH3+])cc1.[Cl-]
• Title of publication: A second monoclinic polymorph of 2,4-dimethylanilinium chloride
• Authors of publication: Hossein Zadeh, Soudeh; Talei Bavil Olyai, Mohamad Reza; Biglari Mazlaghani, Hossein; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3190
• a: 5.3651 ± 0.0011 Å
• b: 18.631 ± 0.004 Å
• c: 8.5428 ± 0.0017 Å
• α: 90°
• β: 94.48 ± 0.03°
• γ: 90°
• Cell volume: 851.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes