Information card for entry 2311403

Structure parameters

• Chemical name: Ethyl 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate:
• Formula: C13 H13 F N2 O3
• Calculated formula: C13 H13 F N2 O3
• SMILES: Fc1ccc(N2C(=O)CC(=C2N)C(=O)OCC)cc1
• Title of publication: Ethyl 2-amino-1-(4-fluoro-phen-yl)-5-oxo-4,5-di-hydro-1<i>H</i>-pyrrole-3-carboxyl-ate: crystal structure and Hirshfeld surface analysis.
• Authors of publication: Patel, U. H.; Jotaniya, Chintan; Shah, D. A.; Socha, Bhavesh
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 9
• Pages of publication: 1336 - 1340
• a: 5.5357 ± 0.0016 Å
• b: 8.548 ± 0.002 Å
• c: 27.026 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1278.8 ± 0.6 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No