Information card for entry 2237674

Structure parameters

• Chemical name: 2,4-Dichlorobenzyl 2-methoxybenzoate
• Formula: C15 H12 Cl2 O3
• Calculated formula: C15 H12 Cl2 O3
• SMILES: Clc1c(COC(=O)c2c(OC)cccc2)ccc(Cl)c1
• Title of publication: 2,4-Dichlorobenzyl 2-methoxybenzoate
• Authors of publication: Isloor, Arun M.; Garudachari, B.; Gerber, Thomas; Hosten, Eric; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o509
• a: 12.1816 ± 0.0005 Å
• b: 15.2481 ± 0.0006 Å
• c: 7.4207 ± 0.0004 Å
• α: 90°
• β: 99.299 ± 0.002°
• γ: 90°
• Cell volume: 1360.25 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes