Information card for entry 2311627

Structure parameters

• Chemical name: Ethyl 1,4-bis(4-chlorophenyl)-2-methyl-1<i>H</i>-pyrrole-3-carboxylate
• Formula: C20 H17 Cl2 N O2
• Calculated formula: C20 H17 Cl2 N O2
• SMILES: Clc1ccc(c2c(C(=O)OCC)c(n(c3ccc(Cl)cc3)c2)C)cc1
• Title of publication: Ethyl 1,4-bis-(4-chloro-phen-yl)-2-methyl-1H-pyrrole-3-carboxyl-ate.
• Authors of publication: Nandeesh, K. N.; Chandra, ?; Mahendra, M.; Palani, K.; Mantelingu, K.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 8
• Pages of publication: o1269
• a: 8.037 ± 0.002 Å
• b: 9.797 ± 0.003 Å
• c: 12.51 ± 0.004 Å
• α: 72.774 ± 0.016°
• β: 86.838 ± 0.016°
• γ: 76.804 ± 0.016°
• Cell volume: 915.9 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0745
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No