Information card for entry 2311319

Structure parameters

• Chemical name: 8-Ethoxy-3-(4-nitrophenyl)-2<i>H</i>-chromen-2-one
• Formula: C17 H13 N O5
• Calculated formula: C17 H13 N O5
• SMILES: o1c(=O)c(cc2cccc(OCC)c12)c1ccc(N(=O)=O)cc1
• Title of publication: Crystal structure of 8-eth-oxy-3-(4-nitro-phen-yl)-2H-chromen-2-one.
• Authors of publication: Walki, Shashikanth; Naveen, S.; Kenchanna, S.; Mahadevan, K. M.; Kumara, M. N.; Lokanath, N. K.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 11
• Pages of publication: o860 - 1
• a: 6.8118 ± 0.0009 Å
• b: 13.6726 ± 0.0018 Å
• c: 15.909 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1481.7 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No