Information card for entry 7209248

Structure parameters

• Common name: N-phenylurea
• Chemical name: N-phenylurea
• Formula: C7 H8 N2 O
• Calculated formula: C7 H8 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: 4.634 ± 0.001 Å
• b: 5.292 ± 0.001 Å
• c: 13.943 ± 0.003 Å
• α: 90°
• β: 95.57 ± 0.03°
• γ: 90°
• Cell volume: 340.31 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for all reflections included in the refinement: 0.04
• RFsqd: 0.028
• Goodness-of-fit parameter for all reflections included in the refinement: 2.072
• Diffraction radiation wavelength: 0.6 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No