Information card for entry 7113113

Structure parameters

• Common name: Ureidoimidazole
• Formula: C10 H10 N4 O
• Calculated formula: C10 H10 N4 O
• SMILES: n1cc[nH]c1NC(=O)Nc1ccccc1
• Title of publication: Conformer independent heterodimerisation of linear arrays using three hydrogen bonds
• Authors of publication: McGhee, Andrea M.; Kilner, Colin; Wilson, Andrew J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 344 - 346
• a: 11.7156 ± 0.0003 Å
• b: 6.0176 ± 0.0002 Å
• c: 13.3965 ± 0.0004 Å
• α: 90°
• β: 92.369 ± 0.001°
• γ: 90°
• Cell volume: 943.64 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102818
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No