Information card for entry 2228717

Structure parameters

• Chemical name: Methyl (2<i>Z</i>)-3-[(4-nitrophenyl)carbamoyl]prop-2-enoate
• Formula: C11 H10 N2 O5
• Calculated formula: C11 H10 N2 O5
• SMILES: O(C)C(=O)/C=C\C(=O)Nc1ccc(N(=O)=O)cc1
• Title of publication: Methyl (2<i>Z</i>)-3-[(4-nitrophenyl)carbamoyl]prop-2-enoate
• Authors of publication: Munawar, Khurram Shahzad; Ali, Saqib; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o77
• a: 6.8382 ± 0.0002 Å
• b: 7.7497 ± 0.0002 Å
• c: 11.8277 ± 0.0005 Å
• α: 97.805 ± 0.002°
• β: 92.119 ± 0.002°
• γ: 114.425 ± 0.001°
• Cell volume: 562.39 ± 0.03 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: 0.0406
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes