Information card for entry 2022866

Structure parameters

• Chemical name: (<i>E</i>)-2-[(Benzo[<i>d</i>]thiazol-2-ylimino)methyl]-5-(diethylamino)phenol
• Formula: C18 H19 N3 O S
• Calculated formula: C18 H19 N3 O S
• Title of publication: Unusual reaction of (<i>E</i>)-2-[(benzo[<i>d</i>]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol with tri-phenyl-borane: crystal structures and optical properties.
• Authors of publication: Le Thi Hong, Hai; Le Phuong, Thao; Van Pham, Thong; Minh Thi Nguyen, Hue; Van Meervelt, Luc
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 982 - 987
• a: 7.2881 ± 0.0002 Å
• b: 22.0453 ± 0.0008 Å
• c: 10.2761 ± 0.0003 Å
• α: 90°
• β: 90.28 ± 0.003°
• γ: 90°
• Cell volume: 1651.02 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes