Information card for entry 1503660

Structure parameters

• Chemical name: 6-(Hydroxyimino)-1-methyl-3-phenyl-1,3,5-triazine-2,4-dione
• Formula: C10 H10 N4 O3
• Calculated formula: C10 H10 N4 O3
• SMILES: c1ccc(N2C(=O)N(C(=NO)NC2=O)C)cc1
• Title of publication: Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones
• Authors of publication: Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin
• Journal of publication: Journal of Combinatorial Chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1050
• a: 8.973 ± 0.0005 Å
• b: 8.3478 ± 0.0005 Å
• c: 28.1826 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2111 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No