Information card for entry 4509257

Structure parameters

• Chemical name: 2-[4-[2-(4-chlorobenzamide)ethyl]phenoxy]-2-methylpropanoic acid
• Formula: C19 H20 Cl N O4
• Calculated formula: C19 H20 Cl N O4
• SMILES: c1(ccc(cc1)C(=O)NCCc1ccc(cc1)OC(C)(C)C(=O)O)Cl
• Title of publication: Concomitant Polymorphs of the Antihyperlipoproteinemic Bezafibrate
• Authors of publication: Lemmerer, Andreas; Báthori, Nikoletta B.; Esterhuysen, Catharine; Bourne, Susan A.; Caira, Mino R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2646
• a: 10.3118 ± 0.0004 Å
• b: 17.6601 ± 0.0014 Å
• c: 19.7133 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3589.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.102
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No