Information card for entry 7241182

Structure parameters

• Common name: 1-methylhydantoin
• Chemical name: 1-methylimidazolidine-2,4-dione
• Formula: C4 H6 N2 O2
• Calculated formula: C4 H6 N2 O2
• Title of publication: Polymorphism in 1-Methylhydantoin: Investigation by Periodic DFT Calculations and Characterization of the Third Polymorph
• Authors of publication: Nogueira, Bernardo Albuquerque; Milani, Alberto; Ogruc Ildiz, Gulce; Paixão, José; Castiglioni, Chiara; Fausto, Rui
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.8466 ± 0.0002 Å
• b: 9.8257 ± 0.0003 Å
• c: 20.3107 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1565.92 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No