Information card for entry 2221320

Structure parameters

• Chemical name: (<i>E</i>)-2-[(6-Ethoxybenzothiazol-2-yl)iminomethyl]-6-methoxyphenol
• Formula: C17 H16 N2 O3 S
• Calculated formula: C17 H16 N2 O3 S
• SMILES: s1c(/N=C/c2c(O)c(OC)ccc2)nc2c1cc(OCC)cc2
• Title of publication: (<i>E</i>)-2-[(6-Ethoxybenzothiazol-2-yl)iminomethyl]-6-methoxyphenol
• Authors of publication: Kong, Ling-Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o832
• a: 6.0178 ± 0.0014 Å
• b: 10.941 ± 0.003 Å
• c: 12.164 ± 0.003 Å
• α: 85.479 ± 0.004°
• β: 83.693 ± 0.005°
• γ: 76.486 ± 0.003°
• Cell volume: 772.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0683
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes