Information card for entry 2240711

Structure parameters

• Chemical name: Ethyl 2-cyano-3-[(1-ethoxyethylidene)amino]-5-(3-methoxyphenyl)-7-methyl-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Formula: C22 H24 N4 O4 S
• Calculated formula: C22 H24 N4 O4 S
• SMILES: S1C(=C(N2C(C(=C(N=C12)C)C(=O)OCC)c1cccc(OC)c1)N=C(OCC)C)C#N
• Title of publication: Crystal structure of ethyl 2-cyano-3-[(1-ethoxyethylidene)amino]-5-(3-methoxyphenyl)-7-methyl-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Authors of publication: Krishnamurthy, M. S.; Begum, Noor Shahina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: o256 - o257
• a: 14.371 ± 0.003 Å
• b: 13.368 ± 0.003 Å
• c: 22.771 ± 0.006 Å
• α: 90 ± 0.005°
• β: 99.325 ± 0.005°
• γ: 90 ± 0.05°
• Cell volume: 4316.8 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes