Information card for entry 2231538

Structure parameters

• Chemical name: Ethyl 5-((1<i>E</i>)-1-{(<i>E</i>)-2-[1-(4-ethoxycarbonyl-3-methyl-1,2- oxazol-5-yl)ethylidene]hydrazin-1-ylidene}ethyl)-3-methyl-1,2-oxazole- 4-carboxylate
• Formula: C18 H22 N4 O6
• Calculated formula: C18 H22 N4 O6
• SMILES: CCOC(=O)c1c(C)noc1/C(=N/N=C(/c1onc(c1C(=O)OCC)C)C)C
• Title of publication: Ethyl 5-((1<i>E</i>)-1-{(<i>E</i>)-2-[1-(4-ethoxycarbonyl-3-methyl-1,2-oxazol-5-yl)ethylidene]hydrazin-1-ylidene}ethyl)-3-methyl-1,2-oxazole-4-carboxylate
• Authors of publication: Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2316
• a: 9.4509 ± 0.0005 Å
• b: 8.5456 ± 0.0004 Å
• c: 11.9859 ± 0.0005 Å
• α: 90°
• β: 104.107 ± 0.005°
• γ: 90°
• Cell volume: 938.83 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes