Information card for entry 2229969

Structure parameters

• Common name: <i>N</i>-Benzylaniline
• Chemical name: <i>N</i>-Benzylaniline
• Formula: C13 H13 N
• Calculated formula: C13 H13 N
• SMILES: c1ccc(cc1)NCc1ccccc1
• Title of publication: <i>N</i>-Benzylaniline
• Authors of publication: Betz, Richard; McCleland, Cedric; Marchand, Harold
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1195
• a: 18.8185 ± 0.0006 Å
• b: 5.7911 ± 0.0002 Å
• c: 19.3911 ± 0.0007 Å
• α: 90°
• β: 103.338 ± 0.001°
• γ: 90°
• Cell volume: 2056.24 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes