Information card for entry 2210625

Structure parameters

• Chemical name: 4-[(4-Ethoxyphenyl)aminoacetyl]-6,7-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
• Formula: C22 H25 N3 O4
• Calculated formula: C22 H25 N3 O4
• SMILES: c12cc(c(cc1NC(=O)CN2C(=O)CN(c1ccc(OCC)cc1)C(=O)C)C)C
• Title of publication: 4-[(4-Ethoxyphenyl)aminoacetyl]-6,7-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
• Authors of publication: Kruszynski, Rafal; Trzesowska, Agata; Czestkowski, Wojciech; Bartczak, Tadeusz J.; Mikiciuk-Olasik, Elżbieta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4596 - o4598
• a: 6.634 ± 0.001 Å
• b: 10.547 ± 0.002 Å
• c: 15.276 ± 0.003 Å
• α: 94.21 ± 0.03°
• β: 90.1 ± 0.03°
• γ: 104.64 ± 0.03°
• Cell volume: 1031.1 ± 0.4 ų
• Cell temperature: 291 ± 0.3 K
• Ambient diffraction temperature: 291 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1788
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes