Information card for entry 2022754

Structure parameters

• Chemical name: 3-(Benzo[<i>d</i>]thiazol-2-yl)-6-methyl-2<i>H</i>-chromen-2-one
• Formula: C17 H11 N O2 S
• Calculated formula: C17 H11 N O2 S
• Title of publication: Crystal structure of 3-(benzo[<i>d</i>]thia-zol-2-yl)-6-methyl-2<i>H</i>-chromen-2-one.
• Authors of publication: Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 5
• Pages of publication: 504 - 507
• a: 7.1592 ± 0.0002 Å
• b: 9.0048 ± 0.0002 Å
• c: 10.8678 ± 0.0003 Å
• α: 82.779 ± 0.002°
• β: 76.016 ± 0.002°
• γ: 75.078 ± 0.002°
• Cell volume: 655.42 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes