Information card for entry 2019296

Structure parameters

• Chemical name: Imidazolidin-2-one
• Formula: C3 H6 N2 O
• Calculated formula: C3 H6 N2 O
• SMILES: O=C1NCCN1
• Title of publication: Imidazolidin-2-one: pseudosymmetry and twinning
• Authors of publication: Taouss, Christina; Jones, Peter G.; Tindall, Daniel J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1534 - 1536
• a: 7.6219 ± 0.0003 Å
• b: 7.6219 ± 0.0003 Å
• c: 13.1632 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 764.69 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No