Information card for entry 2200926

Structure parameters

• Chemical name: 4-(2-Acetyl-2-(4-ethoxyphenyl)amino-1-oxoethyl)-1,2,3,4- tetrahydro-2-quinoxalinone
• Formula: C20 H21 N3 O4
• Calculated formula: C20 H21 N3 O4
• SMILES: N(C(=O)C)(CC(=O)N1CC(=O)Nc2c1cccc2)c1ccc(cc1)OCC
• Title of publication: 4-[(4-Ethoxyphenyl)aminoacetyl]-1,2,3,4-tetrahydroquinoxalin-2-one
• Authors of publication: Kruszynski, Rafal; Bartczak, Tadeusz J.; Mikiciuk-Olasik, Elżbieta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o98 - o101
• a: 8.289 ± 0.001 Å
• b: 12.117 ± 0.002 Å
• c: 19.225 ± 0.003 Å
• α: 90°
• β: 99.88 ± 0.01°
• γ: 90°
• Cell volume: 1902.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 1.54052 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes