Information card for entry 2023604

Structure parameters

• Chemical name: Ethyl 4-hydroxy-1-methyl-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate
• Formula: C12 H13 N O4 S
• Calculated formula: C12 H13 N O4 S
• Title of publication: Crystal structure and Hirshfeld surface analysis of ethyl 4-hydroxy-1-methyl-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-3-carboxylate
• Authors of publication: Mohd Rosli, Nor Habibah; Mohd Tajuddin, Amalina; Hamali, Muhamad Azwan; Sirat, Siti Syaida; Mohammat, Mohd Fazli
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 11
• a: 14.326 ± 0.0004 Å
• b: 6.3501 ± 0.0002 Å
• c: 14.7341 ± 0.0004 Å
• α: 90°
• β: 108.74 ± 0.002°
• γ: 90°
• Cell volume: 1269.32 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.3 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: 0.0689
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No