Information card for entry 2244064

Structure parameters

• Chemical name: 2-(2,5-Dimethoxyphenyl)benzo[<i>d</i>]thiazole
• Formula: C15 H13 N O2 S
• Calculated formula: C15 H13 N O2 S
• SMILES: s1c(nc2ccccc12)c1c(ccc(c1)OC)OC
• Title of publication: Crystal structure of 2-(2,5-dimethoxyphenyl)benzo[<i>d</i>]thiazole
• Authors of publication: Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• Pages of publication: 445 - 448
• a: 14.6666 ± 0.0002 Å
• b: 13.8922 ± 0.0002 Å
• c: 6.26063 ± 0.0001 Å
• α: 90°
• β: 100.127 ± 0.0014°
• γ: 90°
• Cell volume: 1255.74 ± 0.03 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: 0.0302
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes