Information card for entry 2201028

Structure parameters

• Chemical name: 4-(2-Benzylamino-1-oxoethyl)-1,2,3,4-tetrahydro-6,7-dimethylquinoxalin-2-one
• Formula: C19 H21 N3 O2
• Calculated formula: C19 H21 N3 O2
• SMILES: N1(c2cc(c(cc2NC(=O)C1)C)C)C(=O)CNCc1ccccc1
• Title of publication: 4-(2-Benzylamino-1-oxoethyl)-1,2,3,4-tetrahydro-6,7-dimethylquinoxalin-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: 4
• Pages of publication: o461 - o464
• a: 15.523 ± 0.003 Å
• b: 14.521 ± 0.003 Å
• c: 7.52 ± 0.002 Å
• α: 90°
• β: 94.45 ± 0.03°
• γ: 90°
• Cell volume: 1690 ± 0.7 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2483
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes