Information card for entry 2225339

Structure parameters

• Chemical name: (1-Naphthylmethyl)ammonium chloride
• Formula: C11 H12 Cl N
• Calculated formula: C11 H12 Cl N
• SMILES: C(c1cccc2ccccc12)[NH3+].[Cl-]
• Title of publication: (1-Naphthylmethyl)ammonium chloride
• Authors of publication: Salimi, Ali R.; Azizpoor Fard, Mahmood; Eshtiagh-Hosseini, Hossein; M. Amini, Mostafa; Khavasi, Hamid R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o509
• a: 5.3395 ± 0.0007 Å
• b: 9.3355 ± 0.0015 Å
• c: 10.1432 ± 0.0013 Å
• α: 90°
• β: 100.864 ± 0.01°
• γ: 90°
• Cell volume: 496.55 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes