Information card for entry 4509258

Structure parameters

• Chemical name: 2-[4-[2-(4-chlorobezamide)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: 10.7849 ± 0.0005 Å
• b: 15.7886 ± 0.0007 Å
• c: 11.4932 ± 0.0005 Å
• α: 90°
• β: 115.875 ± 0.002°
• γ: 90°
• Cell volume: 1760.85 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0977
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No