Information card for entry 2216718

Structure parameters

• Chemical name: <i>N</i>-(2-Bromobenzyl)-2,6-diisopropylaniline
• Formula: C19 H24 Br N
• Calculated formula: C19 H24 Br N
• SMILES: Brc1c(cccc1)CNc1c(cccc1C(C)C)C(C)C
• Title of publication: <i>N</i>-(2-Bromobenzyl)-2,6-diisopropylaniline
• Authors of publication: Cristea, Adina; Varga, Richard A.; Silvestru, Cristian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4528 - o4529
• a: 17.207 ± 0.017 Å
• b: 14.742 ± 0.015 Å
• c: 13.87 ± 0.014 Å
• α: 90°
• β: 94.65 ± 0.018°
• γ: 90°
• Cell volume: 3507 ± 6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes