Information card for entry 2219979

Structure parameters

• Chemical name: Ethyl 4-(2-chloroquinolin-3-yl)-1-phenyl-1<i>H</i>-pyrrole-3-carboxylate
• Formula: C22 H17 Cl N2 O2
• Calculated formula: C22 H17 Cl N2 O2
• SMILES: Clc1nc2c(cc1c1c(C(=O)OCC)cn(c3ccccc3)c1)cccc2
• Title of publication: Ethyl 4-(2-chloroquinolin-3-yl)-1-phenyl-1<i>H</i>-pyrrole-3-carboxylate
• Authors of publication: Benzerka, Saida; Bouraiou, Abdelmalek; Bouacida, Sofiane; Debache, Abdelmadjid; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2115 - o2116
• a: 20.2021 ± 0.0006 Å
• b: 8.05 ± 0.0001 Å
• c: 24.0238 ± 0.0007 Å
• α: 90°
• β: 105.29 ± 0.02°
• γ: 90°
• Cell volume: 3768.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes