Information card for entry 1519886

Structure parameters

• Chemical name: 2-Methylanilinium chloride
• Formula: C7 H10 Cl N
• Calculated formula: C7 H10 Cl N
• SMILES: c1(c(cccc1)C)[NH3+].[Cl-]
• Title of publication: 2-Methylaniliniumchloride
• Authors of publication: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 696
• a: 15.6207 ± 0.0004 Å
• b: 5.3929 ± 0.0001 Å
• c: 8.6541 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 729.03 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No