Information card for entry 2311179

Structure parameters

• Chemical name: Methyl (2<i>Z</i>)-((2<i>Z</i>)-2-{(2<i>E</i>)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)ethanoate
• Formula: C21 H19 N3 O3 S
• Calculated formula: C21 H19 N3 O3 S
• SMILES: S1/C(N(C(=O)C\1=C\C(=O)OC)c1ccccc1)=N\N=C(C)\c1ccc(cc1)C
• Title of publication: Methyl (2Z)-((2Z)-2-{(2E)-[1-(4-methyl-phen-yl)ethyl-idene]hydrazinyl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)ethano-ate.
• Authors of publication: Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 9
• Pages of publication: o1401 - 2
• a: 8.3713 ± 0.0012 Å
• b: 21.568 ± 0.003 Å
• c: 21.591 ± 0.003 Å
• α: 90°
• β: 96.411 ± 0.002°
• γ: 90°
• Cell volume: 3873.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0568
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No