Information card for entry 2240395

Structure parameters

• Chemical name: 3-Benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene
• Formula: C23 H20 Br N O3 S
• Calculated formula: C23 H20 Br N O3 S
• Title of publication: Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene
• Authors of publication: Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.; Glidewell, Christopher; Byrappa, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 176 - 179
• a: 4.81267 ± 0.00018 Å
• b: 22.1919 ± 0.0008 Å
• c: 18.7012 ± 0.0007 Å
• α: 90°
• β: 97.392 ± 0.003°
• γ: 90°
• Cell volume: 1980.73 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes