Information card for entry 2226311

Structure parameters

• Chemical name: 3-{2-[2-(2-Fluorobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}- 2<i>H</i>-chromen-2-one
• Formula: C19 H12 F N3 O2 S
• Calculated formula: C19 H12 F N3 O2 S
• SMILES: s1c(N/N=C/c2ccccc2F)nc(c1)c1cc2ccccc2oc1=O
• Title of publication: 3-{2-[2-(2-Fluorobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2<i>H</i>-chromen-2-one
• Authors of publication: Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1446 - o1447
• a: 12.303 ± 0.002 Å
• b: 10.4477 ± 0.0017 Å
• c: 25.247 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3245.2 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes