Information card for entry 2226742

Structure parameters

• Chemical name: (<i>E</i>)-3-(3-Chlorophenyl)-<i>N</i>-(4-hydroxy-3-methoxybenzyl)acrylamide
• Formula: C17 H16 Cl N O3
• Calculated formula: C17 H16 Cl N O3
• SMILES: Clc1cc(ccc1)/C=C/C(=O)NCc1cc(OC)c(O)cc1
• Title of publication: (<i>E</i>)-3-(3-Chlorophenyl)-<i>N</i>-(4-hydroxy-3-methoxybenzyl)acrylamide
• Authors of publication: Xia, Liang-You; Wang, Wen-Long; Huang, Yan-Lan; Shan, Shang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1700
• a: 9.036 ± 0.003 Å
• b: 14.972 ± 0.005 Å
• c: 11.768 ± 0.004 Å
• α: 90°
• β: 95.047 ± 0.005°
• γ: 90°
• Cell volume: 1585.9 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes