Information card for entry 2313026

Structure parameters

• Chemical name: (<i>Z</i>)-4-Benzyl-2-(4-methylbenzylidene)-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one
• Formula: C23 H19 N O S
• Calculated formula: C23 H19 N O S
• Title of publication: Crystal structure and Hirshfeld surface analyses, inter-action energy calculations and energy frameworks of (<i>Z</i>)-4-benzyl-2-(4-methyl-benzylidene)-2<i>H</i>-[1,4]benzo-thia-zin-3(4<i>H</i>)-one.
• Authors of publication: Hni, Brahim; Hamou Ahabchane, Noureddine; Ballo, Daouda; Hökelek, Tuncer; Mague, Joel T.; Essassi, El Mokhtar; Sebbar, Nada Kheira
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 665 - 669
• a: 18.7286 ± 0.0011 Å
• b: 43.903 ± 0.002 Å
• c: 8.9154 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7330.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No