Information card for entry 2218554

Structure parameters

• Chemical name: 2-(3-Chloro-4-hydroxyphenyl)-<i>N</i>-(3,4-dimethoxyphenethyl)acetamide
• Formula: C18 H20 Cl N O4
• Calculated formula: C18 H20 Cl N O4
• SMILES: Clc1cc(ccc1O)CC(=O)NCCc1cc(OC)c(OC)cc1
• Title of publication: 2-(3-Chloro-4-hydroxyphenyl)-<i>N</i>-(3,4-dimethoxyphenethyl)acetamide
• Authors of publication: Davis, Rohan A.; Healy, Peter C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1057
• a: 12.329 ± 0.003 Å
• b: 12.839 ± 0.005 Å
• c: 11.062 ± 0.003 Å
• α: 90°
• β: 92.18 ± 0.02°
• γ: 90°
• Cell volume: 1749.8 ± 0.9 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes