Information card for entry 2226547

Structure parameters

• Chemical name: 3-{2-[2-(Diphenylmethylene)hydrazinyl]thiazol-4-yl}-2<i>H</i>-chromen-2-one
• Formula: C25 H17 N3 O2 S
• Calculated formula: C25 H17 N3 O2 S
• SMILES: s1cc(nc1NN=C(c1ccccc1)c1ccccc1)c1c(=O)oc2ccccc2c1
• Title of publication: 3-{2-[2-(Diphenylmethylene)hydrazinyl]thiazol-4-yl}-2<i>H</i>-chromen-2-one
• Authors of publication: Arshad, Afsheen; Osman, Hasnah; Chan, Kit Lam; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1788 - o1789
• a: 13.8705 ± 0.0018 Å
• b: 12.9101 ± 0.0017 Å
• c: 11.8534 ± 0.0016 Å
• α: 90°
• β: 107.563 ± 0.002°
• γ: 90°
• Cell volume: 2023.6 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.0805
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes