Information card for entry 2013082

Structure parameters

• Common name: imidazolidinedione
• Chemical name: 5-(1-Acetamidobenzyl)-5-methylazolidin-2,4-dione
• Formula: C13 H15 N3 O3
• Calculated formula: C13 H15 N3 O3
• SMILES: O=C1N[C@]([C@@H](NC(=O)C)c2ccccc2)(C(=O)N1)C.O=C1N[C@@]([C@H](NC(=O)C)c2ccccc2)(C(=O)N1)C
• Title of publication: 5-[Acetamido(phenyl)methyl]-5-methylimidazolidine-2,4-dione
• Authors of publication: SethuSankar, K.; Thennarasu, S.; Velmurugan, D.; Moon Jib-Kim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o715 - o717
• a: 12.9955 ± 0.0009 Å
• b: 7.7137 ± 0.0005 Å
• c: 13.4699 ± 0.0011 Å
• α: 90°
• β: 107.86 ± 0.006°
• γ: 90°
• Cell volume: 1285.2 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes