Information card for entry 2205225

Structure parameters

• Chemical name: 3-(Imidazolidin-2-ylidene)-6-methyl-3,4,5,6-tetrahydro-2H-pyran-2,4-dione
• Formula: C9 H12 N2 O3
• Calculated formula: C9 H12 N2 O3
• Title of publication: 3-(Imidazolidin-2-ylidene)-6-methyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-2,4-dione
• Authors of publication: Jing-Jun Hao; Hu Xu; Hai-Bing Song; You-Ming Wang; Zheng-Ming Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o749 - o750
• a: 7.195 ± 0.002 Å
• b: 7.106 ± 0.002 Å
• c: 9.131 ± 0.003 Å
• α: 90°
• β: 92.866 ± 0.005°
• γ: 90°
• Cell volume: 466.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes