Information card for entry 2311223

Structure parameters

• Chemical name: Methyl (2<i>Z</i>)-2-{(2<i>Z</i>)-3-[(cyclopentylidene)amino]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene}acetate
• Formula: C17 H17 N3 O3 S
• Calculated formula: C17 H17 N3 O3 S
• SMILES: S1/C(N(N=C2CCCC2)C(=O)C\1=C\C(=O)OC)=N\c1ccccc1
• Title of publication: Methyl (2Z)-2-{(2Z)-3-[(cyclo-pentyl-idene)amino]-4-oxo-2-phenyl-imino-1,3-thia-zol-idin-5-yl-idene}acetate.
• 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: 2014
• Journal volume: 70
• Journal issue: Pt 3
• Pages of publication: o366 - 7
• a: 9.9684 ± 0.0002 Å
• b: 9.9657 ± 0.0002 Å
• c: 16.9818 ± 0.0003 Å
• α: 90°
• β: 105.929 ± 0.0006°
• γ: 90°
• Cell volume: 1622.23 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No