Information card for entry 2022741

Structure parameters

• Chemical name: <i>N</i>-[3-(Benzo[<i>d</i>]thiazol-2-yl)-6-bromo-2<i>H</i>-chromen-2-ylidene]-4-methylbenzenamine
• Formula: C23 H15 Br N2 O S
• Calculated formula: C23 H15 Br N2 O S
• Title of publication: Crystal structure of <i>N</i>-[3-(benzo[<i>d</i>]thia-zol-2-yl)-6-bromo-2<i>H</i>-chromen-2-yl-idene]-4-methyl-benzenamine.
• 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: 441 - 445
• a: 7.34138 ± 0.0001 Å
• b: 10.672 ± 0.0002 Å
• c: 12.9247 ± 0.0002 Å
• α: 104.503 ± 0.0016°
• β: 90.2462 ± 0.0012°
• γ: 103.996 ± 0.0014°
• Cell volume: 948.97 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.17 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes