Information card for entry 2230174

Structure parameters

• Chemical name: (<i>E</i>)-3-(2-{2-[1-(3-Hydroxyphenyl)ethylidene]hydrazinyl}-1,3- thiazol-4-yl)-2<i>H</i>-chromen-2-one
• Formula: C20 H15 N3 O3 S
• Calculated formula: C20 H15 N3 O3 S
• SMILES: Oc1cccc(c1)/C(=N/Nc1scc(n1)c1cc2ccccc2oc1=O)C
• Title of publication: (<i>E</i>)-3-(2-{2-[1-(3-Hydroxyphenyl)ethylidene]hydrazinyl}-1,3-thiazol-4-yl)-2<i>H</i>-chromen-2-one
• Authors of publication: Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1072 - o1073
• a: 9.1569 ± 0.0001 Å
• b: 9.907 ± 0.0002 Å
• c: 18.7478 ± 0.0003 Å
• α: 90°
• β: 92.04 ± 0.001°
• γ: 90°
• Cell volume: 1699.67 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0494
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes