Information card for entry 2021222

Structure parameters

• Chemical name: (<i>E</i>)-3-Benzoyl-2-[(5-fluoro-2-hydroxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene
• Formula: C22 H18 F N O2 S
• Calculated formula: C22 H18 F N O2 S
• Title of publication: Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions
• Authors of publication: Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1094 - 1104
• a: 9.5004 ± 0.0008 Å
• b: 14.2911 ± 0.0011 Å
• c: 13.6497 ± 0.0009 Å
• α: 90°
• β: 97.524 ± 0.002°
• γ: 90°
• Cell volume: 1837.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.119
• 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: Yes
• Has Fobs: Yes