Information card for entry 7209247

Structure parameters

• Common name: N-methylurea
• Chemical name: N-methylurea
• Formula: C2 H6 N2 O
• Calculated formula: C2 H6 N2 O
• Title of publication: A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives
• Authors of publication: Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2084
• a: 6.741 ± 0.001 Å
• b: 6.743 ± 0.001 Å
• c: 8.58 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 390 ± 0.12 ų
• Cell temperature: 8 ± 2 K
• Ambient diffraction temperature: 8 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.058
• RFsqd: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.485
• Diffraction radiation wavelength: 0.5166 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No