Information card for entry 2218898

Structure parameters

• Chemical name: 3-(4-Chlorophenyl)-2-methylacrylic acid
• Formula: C10 H9 Cl O2
• Calculated formula: C10 H9 Cl O2
• SMILES: Clc1ccc(/C=C(C(=O)O)\C)cc1
• Title of publication: 3-(4-Chlorophenyl)-2-methylacrylic acid
• Authors of publication: Muhammad, Niaz; Tahir, Muhammad Nawaz; Zia-ur-Rehman; Ali, Saqib; Shaheen, Farkhanda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1542
• a: 7.2164 ± 0.0006 Å
• b: 8.2746 ± 0.0007 Å
• c: 9.1762 ± 0.0008 Å
• α: 115.182 ± 0.004°
• β: 108.022 ± 0.004°
• γ: 90.052 ± 0.005°
• Cell volume: 465.91 ± 0.07 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: 0.0886
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes