Information card for entry 2224120

Structure parameters

• Chemical name: (<i>Z</i>)-2-Acetamido-3-(4-chlorophenyl)acrylic acid
• Formula: C11 H10 Cl N O3
• Calculated formula: C11 H10 Cl N O3
• SMILES: Clc1ccc(cc1)/C=C(\NC(=O)C)C(=O)O
• Title of publication: (<i>Z</i>)-2-Acetamido-3-(4-chlorophenyl)acrylic acid
• Authors of publication: Tian, Qi-Jian; Ouyang, Hui; Tian, Chun-Lian; Jiang, Yong-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3110
• a: 6.244 ± 0.0012 Å
• b: 7.545 ± 0.0015 Å
• c: 11.813 ± 0.002 Å
• α: 90°
• β: 100.47 ± 0.03°
• γ: 90°
• Cell volume: 547.26 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes