Information card for entry 2241456

Structure parameters

• Chemical name: (2<i>Z</i>,5<i>Z</i>)-3-(4-Methoxyphenyl)-2-[(4-methoxyphenyl)imino]-5-[(<i>E</i>)-3-(2-nitrophenyl)allylidene]-1,3-thiazolidin-4-one
• Formula: C26 H21 N3 O5 S
• Calculated formula: C26 H21 N3 O5 S
• SMILES: S1/C(=C\C=C\c2c(N(=O)=O)cccc2)C(=O)N(c2ccc(OC)cc2)C\1=N\c1ccc(OC)cc1
• Title of publication: Crystal structure of (2<i>Z</i>,5<i>Z</i>)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-5-[(<i>E</i>)-3-(2-nitrophenyl)allylidene]-1,3-thiazolidin-4-one
• Authors of publication: Rahmani, Rachida; Djafri, Ahmed; Daran, Jean-Claude; Djafri, Ayada; Chouaih, Abdelkader; Hamzaoui, Fodil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 155 - 157
• a: 13.2727 ± 0.001 Å
• b: 8.6401 ± 0.0004 Å
• c: 21.3018 ± 0.0012 Å
• α: 90°
• β: 105.316 ± 0.007°
• γ: 90°
• Cell volume: 2356.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1156
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes