Information card for entry 2224244

Structure parameters

• Chemical name: 4-[(2,5-Dimethylanilino)acetyl]-3,4-dihydroquinoxalin-2(1<i>H</i>)-one
• Formula: C18 H19 N3 O2
• Calculated formula: C18 H19 N3 O2
• SMILES: c12ccccc1NC(=O)CN2C(=O)CNc1c(ccc(c1)C)C
• Title of publication: 4-[(2,5-Dimethylanilino)acetyl]-3,4-dihydroquinoxalin-2(1<i>H</i>)-one
• Authors of publication: Nasir, Waqar; Munawar, Munawar Ali; Ahmad, Saeed; Nadeem, Sohail; Shahid, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3006
• a: 5.3806 ± 0.0002 Å
• b: 12.358 ± 0.0006 Å
• c: 13.2812 ± 0.0006 Å
• α: 62.878 ± 0.002°
• β: 84.135 ± 0.002°
• γ: 80.835 ± 0.003°
• Cell volume: 775.53 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0953
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes