Information card for entry 1566729

Structure parameters

• Chemical name: 3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one
• Formula: C16 H9 N O2 S
• Calculated formula: C16 H9 N O2 S
• Title of publication: 3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one
• Authors of publication: Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 3
• Pages of publication: x220332
• a: 4.60717 ± 0.00011 Å
• b: 20.7275 ± 0.0005 Å
• c: 12.6444 ± 0.0003 Å
• α: 90°
• β: 91.911 ± 0.002°
• γ: 90°
• Cell volume: 1206.81 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes