Information card for entry 4112832

Structure parameters

• Chemical name: 3-(Pyridine-3-carbonyl)oxazolidin-2-one
• Formula: C9 H8 N2 O3
• Calculated formula: C9 H8 N2 O3
• Title of publication: Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus
• Authors of publication: Shinji Yamada; Tomoko Misono; Seiji Tsuzuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9862 - 9872
• a: 12.5019 ± 0.0009 Å
• b: 24.5155 ± 0.0012 Å
• c: 5.6418 ± 0.0005 Å
• α: 90°
• β: 89.993 ± 0.007°
• γ: 90°
• Cell volume: 1729.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.0893
• Goodness-of-fit parameter for all reflections: 1.113
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No