Information card for entry 2240267

Structure parameters

• Chemical name: (<i>Z</i>)-3-(4-Methoxybenzylidene)-2,3-dihydrobenzo[<i>b</i>][1,4]thiazepin-4(5<i>H</i>)-one
• Formula: C17 H15 N O2 S
• Calculated formula: C17 H15 N O2 S
• Title of publication: Crystal structure of (<i>Z</i>)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[<i>b</i>][1,4]thiazepin-4(5<i>H</i>)-one
• Authors of publication: Vinayagam, V.; Mohan Raj, J.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o21 - o22
• a: 21.434 ± 0.005 Å
• b: 5.715 ± 0.004 Å
• c: 23.87 ± 0.005 Å
• α: 90°
• β: 101.091 ± 0.004°
• γ: 90°
• Cell volume: 2869 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0731
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes