Information card for entry 2223050

Structure parameters

• Chemical name: (2<i>RS</i>)-3-Hydroxy-2-methyl-2-(2-pyridyl)imidazolidine-4-one
• Formula: C9 H11 N3 O2
• Calculated formula: C9 H11 N3 O2
• SMILES: ON1C(NCC1=O)(C)c1ncccc1
• Title of publication: (2<i>RS</i>)-3-Hydroxy-2-methyl-2-(2-pyridyl)imidazolidine-4-one
• Authors of publication: Iskenderov, Turganbay S.; Golenya, Irina A.; Gumienna-Kontecka, Elźbieta; Fritsky, Igor O.; Prisyazhnaya, Elena V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2123 - o2124
• a: 8.207 ± 0.002 Å
• b: 10.604 ± 0.002 Å
• c: 10.642 ± 0.002 Å
• α: 90°
• β: 106.43 ± 0.03°
• γ: 90°
• Cell volume: 888.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes