Information card for entry 2020386

Structure parameters

• Chemical name: 2-(4-Acetylanilino)-2-oxoethyl cinnamate
• Formula: C19 H17 N O4
• Calculated formula: C19 H17 N O4
• SMILES: O=C(c1ccc(cc1)NC(=O)COC(=O)/C=C/c1ccccc1)C
• Title of publication: Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate
• Authors of publication: Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 94 - 98
• a: 9.7969 ± 0.0015 Å
• b: 17.594 ± 0.003 Å
• c: 9.6425 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1662 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1528
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes