Information card for entry 2206832

Structure parameters

• Chemical name: N-methylimidazolidin-2-one
• Formula: C4 H8 N2 O
• Calculated formula: C4 H8 N2 O
• SMILES: O=C1N(C)CCN1
• Title of publication: Anhydrous 1-methylimidazolidin-2-one
• Authors of publication: Caudle, M. Tyler; Tassone, Erica; Groy, Thomas L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3269 - o3270
• a: 7.5746 ± 0.0011 Å
• b: 9.3984 ± 0.0013 Å
• c: 7.9482 ± 0.0011 Å
• α: 90°
• β: 117.139 ± 0.002°
• γ: 90°
• Cell volume: 503.53 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0913
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes