Information card for entry 2221601

Structure parameters

• Chemical name: 2,4-Dichlorophenyl benzoate
• Formula: C13 H8 Cl2 O2
• Calculated formula: C13 H8 Cl2 O2
• SMILES: C(=O)(c1ccccc1)Oc1c(cc(cc1)Cl)Cl
• Title of publication: 2,4-Dichlorophenyl benzoate
• Authors of publication: Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Suchetan, P. A.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o947
• a: 3.9722 ± 0.0001 Å
• b: 11.9458 ± 0.0003 Å
• c: 24.9407 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1183.46 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes