Information card for entry 2239633

Structure parameters

• Chemical name: Ethyl (2<i>Z</i>)-3-hydroxy-3-(4-nitrophenyl)prop-2-enoate
• Formula: C11 H11 N O5
• Calculated formula: C11 H11 N O5
• SMILES: c1(ccc(cc1)C(=C\C(=O)OCC)\O)N(=O)=O
• Title of publication: Ethyl (2<i>Z</i>)-3-hydroxy-3-(4-nitrophenyl)prop-2-enoate
• Authors of publication: Hill, Tania N.; Patel, Naadiya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o750
• a: 13.0495 ± 0.0009 Å
• b: 10.8363 ± 0.0006 Å
• c: 7.6723 ± 0.0005 Å
• α: 90°
• β: 91.268 ± 0.004°
• γ: 90°
• Cell volume: 1084.66 ± 0.12 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 significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes