Information card for entry 2232733

Structure parameters

• Chemical name: Ethyl 4-[(4-chlorophenoxy)methyl]-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
• Formula: C19 H15 Cl N2 O5 S
• Calculated formula: C19 H15 Cl N2 O5 S
• SMILES: Clc1ccc(OCc2nc(sc2C(=O)OCC)c2ccc(N(=O)=O)cc2)cc1
• Title of publication: Ethyl 4-[(4-chlorophenoxy)methyl]-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
• Authors of publication: Deng, Zhi-Rong; Wang, Shu-Qing; Dong, Wei-Li; Wang, Run-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3433
• a: 7.658 ± 0.002 Å
• b: 7.736 ± 0.002 Å
• c: 31.462 ± 0.009 Å
• α: 95.414 ± 0.008°
• β: 93.595 ± 0.013°
• γ: 95.536 ± 0.009°
• Cell volume: 1842.1 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.084
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes