Information card for entry 2235732

Structure parameters

• Chemical name: Ethyl 2-[4-(2-Chlorobenzoyl)-2,6-dimethylphenoxy]ethanoate
• Formula: C19 H19 Cl O4
• Calculated formula: C19 H19 Cl O4
• SMILES: Clc1c(C(=O)c2cc(c(OCC(=O)OCC)c(c2)C)C)cccc1
• Title of publication: Ethyl 2-[4-(2-chlorobenzoyl)-2,6-dimethylphenoxy]ethanoate
• Authors of publication: Prashanth, T.; Ranganatha, V. Lakshmi; Usha, M. K.; Khanum, Shaukath Ara; Revannasiddaiah, D.; Anthal, Sumati; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2435
• a: 16.4082 ± 0.0008 Å
• b: 14.729 ± 0.0006 Å
• c: 15.447 ± 0.0008 Å
• α: 90°
• β: 107.268 ± 0.005°
• γ: 90°
• Cell volume: 3564.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1345
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes