Information card for entry 2236383

Structure parameters

• Chemical name: (<i>E</i>)-1-[(3-Bromophenyl)iminomethyl]naphthalen-2-ol
• Formula: C17 H12 Br N O
• Calculated formula: C17 H12 Br N O
• SMILES: Brc1cc(/N=C/c2c(O)ccc3c2cccc3)ccc1
• Title of publication: (<i>E</i>)-1-[(3-Bromophenyl)iminomethyl]naphthalen-2-ol
• Authors of publication: Akbal, Tufan; Ağar Alaman, Ayşen; Gümüş, Sümeyye; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2779
• a: 31.3965 ± 0.0019 Å
• b: 4.8657 ± 0.0002 Å
• c: 19.0124 ± 0.0011 Å
• α: 90°
• β: 107.772 ± 0.004°
• γ: 90°
• Cell volume: 2765.8 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes