Information card for entry 2003112

Structure parameters

• Formula: C H4 N2 O
• Calculated formula: C H4 N2 O
• SMILES: NC(=O)N
• Title of publication: Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results
• Authors of publication: Zavodnik, Valery; Stash, Adam; Tsirelson, Vladimir; de Vries, Roelof; Feil, Dirk
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 45 - 54
• a: 5.589 ± 0.0005 Å
• b: 5.589 ± 0.0005 Å
• c: 4.6947 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 146.65 ± 0.02 ų
• Cell temperature: 148 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Diffraction radiation wavelength: 0.7069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No