Information card for entry 1573531

Structure parameters

• Chemical name: Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate
• Formula: C17 H22 N2 O5
• Calculated formula: C17 H22 N2 O5
• Title of publication: Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
• Authors of publication: Abdul Rashid, Fatin Nur Ain; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Bakhtiar Afendy, Ayisy Amirul Afti; Cordes, David B.; McKay, Aidan P.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 12
• Pages of publication: x241222
• a: 10.17216 ± 0.00008 Å
• b: 9.2432 ± 0.00006 Å
• c: 17.64603 ± 0.00014 Å
• α: 90°
• β: 101.511 ± 0.0008°
• γ: 90°
• Cell volume: 1625.77 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No