Information card for entry 2008403

Structure parameters

• Chemical name: 1-Allyl-3-(ethoxycarbonylmethylen)-2-oxo-1,2,3,4-tetrahydroquinoxaline
• Formula: C15 H16 N2 O3
• Calculated formula: C15 H16 N2 O3
• SMILES: N1\C(=C/C(=O)OCC)C(=O)N(CC=C)c2ccccc12
• Title of publication: Ethyl 4-allyl-4-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylideneacetate
• Authors of publication: Sersra, Souad; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: IUC9900021
• a: 9.222 ± 0.005 Å
• b: 9.365 ± 0.005 Å
• c: 16.728 ± 0.009 Å
• α: 90°
• β: 104.62 ± 0.01°
• γ: 90°
• Cell volume: 1397.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.127
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes