Information card for entry 2221486

Structure parameters

• Chemical name: 2-[2-Hydroxy-4-(pyrrolidin-1-yl)benzoyl]benzoic acid
• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• Title of publication: 2-[2-Hydroxy-4-(pyrrolidin-1-yl)benzoyl]benzoic acid
• Authors of publication: Gao, Yun-Long; Wang, Jian-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o936
• a: 10.841 ± 0.002 Å
• b: 11.878 ± 0.002 Å
• c: 13.781 ± 0.003 Å
• α: 71.7 ± 0.03°
• β: 82.05 ± 0.03°
• γ: 65.17 ± 0.03°
• Cell volume: 1529 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes