Information card for entry 2219303

Structure parameters

• Chemical name: 2-Methyl-3-(4-nitrophenyl)acrylic acid
• Formula: C10 H9 N O4
• Calculated formula: C10 H9 N O4
• SMILES: OC(=O)/C(=C/c1ccc(N(=O)=O)cc1)C
• Title of publication: 2-Methyl-3-(4-nitrophenyl)acrylic acid
• Authors of publication: Muhammad, Niaz; Tahir, M. Nawaz; Zia-ur-Rehman; Ali, Saqib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1717 - o1718
• a: 7.3878 ± 0.0003 Å
• b: 8.105 ± 0.0005 Å
• c: 8.3402 ± 0.0004 Å
• α: 75.793 ± 0.002°
• β: 81.835 ± 0.003°
• γ: 87.686 ± 0.002°
• Cell volume: 479.21 ± 0.04 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: 0.0561
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes