Information card for entry 2232008

Structure parameters

• Chemical name: Benzyl 2-{4-[2-(4-chlorobenzoylamino)ethyl]phenoxy}-2-methylpropionate
• Formula: C26 H26 Cl N O4
• Calculated formula: C26 H26 Cl N O4
• SMILES: Clc1ccc(cc1)C(=O)NCCc1ccc(OC(C(=O)OCc2ccccc2)(C)C)cc1
• Title of publication: Benzyl 2-{4-[2-(4-chlorobenzoylamino)ethyl]phenoxy}-2-methylpropionate
• Authors of publication: Mustafa, Ghulam; Tasneem, Sania; Khan, Islam Ullah; Ashfaq, Muhammad; Arshad, Muhammad Nadeem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2803
• a: 5.548 ± 0.0001 Å
• b: 11.0716 ± 0.0003 Å
• c: 18.9641 ± 0.0005 Å
• α: 82.247 ± 0.001°
• β: 86.915 ± 0.001°
• γ: 85.674 ± 0.001°
• Cell volume: 1149.81 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes