Information card for entry 2213711

Structure parameters

• Chemical name: 1-[(2,5-Dioxopyrrolidin-1-yl)(phenyl)methyl]urea
• Formula: C12 H13 N3 O3
• Calculated formula: C12 H13 N3 O3
• SMILES: C1(=O)CCC(=O)N1C(c1ccccc1)NC(=O)N
• Title of publication: 1-[(2,5-Dioxopyrrolidin-1-yl)(phenyl)methyl]urea
• Authors of publication: Rajeswari, S.; Venkatesa Prabhu, G.; Krishnakumar, K.; Ramkumar, V.; Babu Varghese
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2929 - o2929
• a: 13.846 ± 0.0004 Å
• b: 5.3527 ± 0.0001 Å
• c: 15.9052 ± 0.0004 Å
• α: 90°
• β: 101.31 ± 0.001°
• γ: 90°
• Cell volume: 1155.9 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes