Information card for entry 7236167

Structure parameters

• Common name: methyl urea
• Formula: C2 H6 N2 O
• Calculated formula: C2 H6 N2 O
• Title of publication: Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities
• Authors of publication: Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 4772
• a: 4.6147 ± 0.0006 Å
• b: 6.5781 ± 0.0012 Å
• c: 12.9004 ± 0.0016 Å
• α: 90°
• β: 90.418 ± 0.009°
• γ: 90°
• Cell volume: 391.59 ± 0.1 ų
• Cell temperature: 223 ± 1 K
• Ambient diffraction temperature: 223 ± 1 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
• Weighted residual factors for significantly intense reflections: 0.0731
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No