Information card for entry 2231162

Structure parameters

• Chemical name: Methyl (2<i>Z</i>)-2-(2-fluoro-4-methoxybenzylidene)-5-(4-methoxyphenyl)- 7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine- 6-carboxylate
• Formula: C24 H21 F N2 O5 S
• Calculated formula: C24 H21 F N2 O5 S
• SMILES: S1C2=NC(=C(C(N2C(=O)C1=Cc1c(F)cc(OC)cc1)c1ccc(OC)cc1)C(=O)OC)C
• Title of publication: Methyl (2<i>Z</i>)-2-(2-fluoro-4-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Umesha, K.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1913 - o1914
• a: 11.7374 ± 0.0002 Å
• b: 14.3062 ± 0.0002 Å
• c: 14.5552 ± 0.0002 Å
• α: 61.939 ± 0.001°
• β: 80.791 ± 0.001°
• γ: 84.878 ± 0.001°
• Cell volume: 2128.69 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes