Information card for entry 2226429

Structure parameters

• Chemical name: (<i>Z</i>)-2-Amino-5-[2,4-dimethoxy-6-(4-methoxystyryl)benzylidene]-1,3- thiazol-4(5<i>H</i>)-one methanol solvate
• Formula: C22 H24 N2 O5 S
• Calculated formula: C22 H24 N2 O5 S
• SMILES: S1C(=C\c2c(OC)cc(OC)cc2/C=C/c2ccc(OC)cc2)/C(=O)N=C1N.OC
• Title of publication: (<i>Z</i>)-2-Amino-5-[2,4-dimethoxy-6-(4-methoxystyryl)benzylidene]-1,3-thiazol-4(5<i>H</i>)-one methanol solvate
• Authors of publication: Madadi, Nikhil Reddy; Reddy, Thirupathi Reddy Yerram; Penthala, Narsimha Reddy; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1792
• a: 10.6243 ± 0.0002 Å
• b: 22.253 ± 0.0005 Å
• c: 9.0562 ± 0.0002 Å
• α: 90°
• β: 93.028 ± 0.001°
• γ: 90°
• Cell volume: 2138.1 ± 0.08 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0462
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes