Information card for entry 2012814

Structure parameters

• Chemical name: 1-(2-chlorobenzoyl)-2-phenylpyrrolidine-2-carboxamide
• Formula: C18 H17 Cl N2 O2
• Calculated formula: C18 H17 Cl N2 O2
• SMILES: Clc1c(C(=O)N2C(CCC2)(C(=O)N)c2ccccc2)cccc1
• Title of publication: 1-Substituted derivatives of 2-phenylpyrrolidine-2-carboxamide
• Authors of publication: Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o386 - o388
• a: 10.661 ± 0.002 Å
• b: 11.69 ± 0.002 Å
• c: 20.698 ± 0.004 Å
• α: 90°
• β: 138.6 ± 0.03°
• γ: 90°
• Cell volume: 1705.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections: 0.951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes