Information card for entry 2228363

Structure parameters

• Chemical name: Ethyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
• Formula: C13 H14 N2 O3
• Calculated formula: C13 H14 N2 O3
• SMILES: n1c2c(cccc2)[nH]c(=O)c1CCC(=O)OCC
• Title of publication: Ethyl 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
• Authors of publication: Nasir, Waqar; Munawar, Munawar Ali; Adnan, Ahmad; Ahmad, Saeed; Akbar, Mohammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3224
• a: 8.3138 ± 0.0006 Å
• b: 13.6868 ± 0.0008 Å
• c: 10.8189 ± 0.0008 Å
• α: 90°
• β: 102.002 ± 0.003°
• γ: 90°
• Cell volume: 1204.16 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1489
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes