Information card for entry 8107368

Structure parameters

• Formula: C16 H20 N2 O5
• Calculated formula: C16 H20 N2 O5
• SMILES: O=C1N(CC(=C1Nc1ccc(OC)cc1)C(=O)OCC)CCO
• Title of publication: Crystal structure of ethyl 1-(2-hydroxyethyl)-4-((4-methoxyphenyl)amino)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate, C16H20N2O5
• Authors of publication: Abdul Rashid, Fatin Nur Ain; Bacho, Muhamad Zulfaqar; Slawin, Alexandra M. Z.; Abdul Manan, Mohd Abdul Fatah; Johari, Saiful Azmi; Mohammat, Mohd Fazli
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 113 - 115
• a: 7.9179 ± 0.0007 Å
• b: 10.1982 ± 0.0009 Å
• c: 10.4144 ± 0.0008 Å
• α: 76.184 ± 0.007°
• β: 87.09 ± 0.007°
• γ: 73.5 ± 0.008°
• Cell volume: 782.86 ± 0.12 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No