Information card for entry 2236251

Structure parameters

• Chemical name: (<i>Z</i>)-2-(5-Acetyl-4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)- 3-(3-methyl-1-benzofuran-2-yl)-3-oxopropanenitrile
• Formula: C24 H18 N2 O3 S
• Calculated formula: C24 H18 N2 O3 S
• SMILES: S1/C(N(C(=C1C(=O)C)C)c1ccccc1)=C(\C(=O)c1oc2c(c1C)cccc2)C#N
• Title of publication: (<i>Z</i>)-2-(5-Acetyl-4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)-3-(3-methyl-1-benzofuran-2-yl)-3-oxopropanenitrile
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2727
• a: 9.7836 ± 0.0004 Å
• b: 6.3682 ± 0.0003 Å
• c: 16.233 ± 0.0006 Å
• α: 90°
• β: 100.351 ± 0.003°
• γ: 90°
• Cell volume: 994.92 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes