Information card for entry 2215272

Structure parameters

• Chemical name: N-Propylurea
• Formula: C4 H10 N2 O
• Calculated formula: C4 H10 N2 O
• SMILES: C(=O)(N)NCCC
• Title of publication: <i>N</i>-Propylurea: the missing link
• Authors of publication: Chohan, Sunil; Lancaster, Richard; Pritchard, Robin G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3837 - o3837
• a: 7.8473 ± 0.001 Å
• b: 7.7271 ± 0.001 Å
• c: 9.2429 ± 0.0014 Å
• α: 90°
• β: 95.777 ± 0.006°
• γ: 90°
• Cell volume: 557.61 ± 0.13 ų
• Cell temperature: 150 ± 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 significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes