Information card for entry 2243762

Structure parameters

• Common name: Compound
• Chemical name: 2-Chloro-<i>N</i>-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide
• Formula: C19 H24 Cl N O5
• Calculated formula: C19 H24 Cl N O5
• Title of publication: Syntheses and structures of two benzoyl amides: 2-chloro-4-ethoxy-3,5-dimethoxy-<i>N</i>-(3-oxocyclohex-1-en-1-yl)benzamide and 2-chloro-<i>N</i>-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide
• Authors of publication: Anderson, Alan J.; Butcher, Ray J.; Ollie, Edward
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 3
• Pages of publication: 314 - 318
• a: 14.6986 ± 0.0013 Å
• b: 10.6309 ± 0.001 Å
• c: 25.131 ± 0.002 Å
• α: 90°
• β: 90.1851 ± 0.0014°
• γ: 90°
• Cell volume: 3926.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes