Information card for entry 2233715

Structure parameters

• Chemical name: 2-(4-Chloro-<i>N</i>-{2-[(1<i>H</i>-pyrrol-2- yl)carbonyloxy]ethyl}anilino)ethyl 1<i>H</i>-pyrrole-2-carboxylate
• Formula: C20 H20 Cl N3 O4
• Calculated formula: C20 H20 Cl N3 O4
• SMILES: Clc1ccc(N(CCOC(=O)c2[nH]ccc2)CCOC(=O)c2[nH]ccc2)cc1
• Title of publication: 2-(4-Chloro-<i>N</i>-{2-[(1<i>H</i>-pyrrol-2-yl)carbonyloxy]ethyl}anilino)ethyl 1<i>H</i>-pyrrole-2-carboxylate
• Authors of publication: Yan, Ying; Zhang, Guilong; Yin, Zhenming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o378
• a: 19.972 ± 0.002 Å
• b: 4.7426 ± 0.0005 Å
• c: 20.613 ± 0.002 Å
• α: 90°
• β: 95.815 ± 0.002°
• γ: 90°
• Cell volume: 1942.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1102
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes