Information card for entry 2312402

Structure parameters

• Chemical name: (<i>S</i>)-(+)-1-(4-Bromophenyl)-<i>N</i>-[(4-methoxyphenyl)methylidene]ethylamine
• Formula: C16 H16 Br N O
• Calculated formula: C16 H16 Br N O
• SMILES: Brc1ccc([C@@H](/N=C/c2ccc(OC)cc2)C)cc1
• Title of publication: (<i>S</i>)-(+)-1-(4-Bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(<i>S</i>)-(+)-1-(4-bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κ<i>N</i>}di-chlorido-palladium(II).
• Authors of publication: Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 2
• Pages of publication: 213 - 217
• a: 5.6599 ± 0.0011 Å
• b: 7.9243 ± 0.001 Å
• c: 34.353 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1136
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No