Information card for entry 2311192

Structure parameters

• Chemical name: Methyl 2-((2<i>Z</i>,5<i>Z</i>)-2-{(<i>E</i>)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate
• Formula: C20 H17 N3 O4 S
• Calculated formula: C20 H17 N3 O4 S
• SMILES: S1/C(=C\C(=O)OC)C(=O)N(/C1=N/N=C(C)/c1ccc(O)cc1)c1ccccc1
• Title of publication: Methyl 2-((2Z,5Z)-2-{(E)-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazin-1-yl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)acetate.
• Authors of publication: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; 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 10
• Pages of publication: o1553 - 4
• a: 9.5049 ± 0.0009 Å
• b: 20.656 ± 0.002 Å
• c: 10.1364 ± 0.001 Å
• α: 90°
• β: 107.637 ± 0.001°
• γ: 90°
• Cell volume: 1896.6 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No