Information card for entry 2218921

Structure parameters

• Common name: amtolmetin guacil
• Chemical name: 2-Methoxyphenyl 2-{2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetamido}acetate
• Formula: C24 H24 N2 O5
• Calculated formula: C24 H24 N2 O5
• SMILES: O(C)c1ccccc1OC(=O)CNC(=O)Cc1n(c(cc1)C(=O)c1ccc(cc1)C)C
• Title of publication: 2-Methoxyphenyl 2-{2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetamido}acetate
• Authors of publication: Lou, Ben-Yong; Guo, Xia; Lin, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1439
• a: 11.307 ± 0.003 Å
• b: 19.768 ± 0.007 Å
• c: 9.713 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2171 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes