Information card for entry 4038497

Structure parameters

• Formula: C17 H18 N4 O6
• Calculated formula: C17 H18 N4 O6
• SMILES: O=C1NC(=O)C(=C([O-])N1)c1n2c([nH+]c1c1ccccc1)cccc2.O.O.O
• Title of publication: A Series of Functionalized 5-(2-Arylimidazo[1,2-a]pyridin-3-yl)pyrimidine-2,4(1H,3H)-diones: A Water-Mediated Three-Component Catalyst-Free Protocol Revisited.
• Authors of publication: Brahmachari, Goutam; Nayek, Nayana; Karmakar, Indrajit; Nurjamal, Khondekar; Chandra, Swapan K.; Bhowmick, Anindita
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.5683 ± 0.001 Å
• b: 10.3368 ± 0.0012 Å
• c: 11.1001 ± 0.0013 Å
• α: 78.658 ± 0.002°
• β: 75.05 ± 0.002°
• γ: 77.369 ± 0.002°
• Cell volume: 916.54 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0967
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No