Information card for entry 2226159

Structure parameters

• Chemical name: 3-{2-[2-(3-Hydroxybenzylidene)hydrazin-1-yl]-1,3-thiazol-4-yl}- 2<i>H</i>-chromen-2-one hemihydrate
• Formula: C19 H14 N3 O3.5 S
• Calculated formula: C19 H14 N3 O3.5 S
• SMILES: Oc1cccc(c1)/C=N\Nc1scc(n1)c1cc2ccccc2oc1=O.Oc1cccc(c1)/C=N/Nc1scc(n1)c1cc2ccccc2oc1=O.O
• Title of publication: 3-{2-[2-(3-Hydroxybenzylidene)hydrazin-1-yl]-1,3-thiazol-4-yl}-2<i>H</i>-chromen-2-one hemihydrate
• Authors of publication: Arshad, Afsheen; Osman, Hasnah; Chan, Kit Lam; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1498 - o1499
• a: 8.012 ± 0.003 Å
• b: 32.775 ± 0.011 Å
• c: 12.619 ± 0.004 Å
• α: 90°
• β: 93.034 ± 0.007°
• γ: 90°
• Cell volume: 3309 ± 2 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: 0.0787
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes