Information card for entry 2233861

Structure parameters

• Chemical name: Dibenzylazanium chloride
• Formula: C14 H16 Cl N
• Calculated formula: C14 H16 Cl N
• SMILES: C(c1ccccc1)[NH2+]Cc1ccccc1.[Cl-]
• Title of publication: Dibenzylazanium chloride
• Authors of publication: Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o577
• a: 10.1524 ± 0.0009 Å
• b: 23.8858 ± 0.0017 Å
• c: 5.0922 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1234.85 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes