Information card for entry 2020458

Structure parameters

• Chemical name: (<i>S</i>)-(+)-2-({[(4-Bromophenyl)ethyl]imino}methyl)naphthalene
• Formula: C19 H16 Br N
• Calculated formula: C19 H16 Br N
• SMILES: Brc1ccc([C@@H](/N=C/c2cc3ccccc3cc2)C)cc1
• Title of publication: Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group
• Authors of publication: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 583
• a: 6.0526 ± 0.0002 Å
• b: 7.6671 ± 0.0004 Å
• c: 33.9712 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1576.46 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes