Information card for entry 2225334

Structure parameters

• Chemical name: <i>N</i>-Benzylpropan-2-aminium chloride
• Formula: C10 H16 Cl N
• Calculated formula: C10 H16 Cl N
• SMILES: [Cl-].[NH2+](Cc1ccccc1)C(C)C
• Title of publication: <i>N</i>-Benzylpropan-2-aminium chloride
• Authors of publication: Pourayoubi, Mehrdad; Negari, Monireh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o708
• a: 9.9666 ± 0.0006 Å
• b: 18.0379 ± 0.0011 Å
• c: 5.7307 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1030.25 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes