Information card for entry 2231092

Structure parameters

• Chemical name: 4-{[1-(4-Bromophenyl)ethyl]aminomethyl}phenol
• Formula: C15 H16 Br N O
• Calculated formula: C15 H16 Br N O
• SMILES: Brc1ccc(cc1)C(C)NCc1ccc(cc1)O
• Title of publication: 4-{[1-(4-Bromophenyl)ethyl]aminomethyl}phenol
• Authors of publication: Gonzalez Nieves, Karilys
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2110
• a: 12.1753 ± 0.001 Å
• b: 8.1939 ± 0.0007 Å
• c: 14.0326 ± 0.0011 Å
• α: 90°
• β: 93.333 ± 0.001°
• γ: 90°
• Cell volume: 1397.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes