Information card for entry 2240218

Structure parameters

• Chemical name: (<i>Z</i>)-3-{3-(4-Chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2<i>H</i>-chromen-2-one
• Formula: C24 H14 Cl2 N2 O2 S
• Calculated formula: C24 H14 Cl2 N2 O2 S
• SMILES: Clc1ccc(/N=C2\SC=C(N2c2ccc(Cl)cc2)c2c(=O)oc3c(c2)cccc3)cc1
• Title of publication: Crystal structure of (<i>Z</i>)-3-{3-(4-chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2<i>H</i>-chromen-2-one
• Authors of publication: Kayalvizhi, M.; Vasuki, G.; Kumar, R. Raj; Rao, V. Rajeswar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1268 - o1269
• a: 9.1491 ± 0.0007 Å
• b: 10.3099 ± 0.0008 Å
• c: 11.9347 ± 0.001 Å
• α: 90°
• β: 111.587 ± 0.002°
• γ: 90°
• Cell volume: 1046.8 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes