Information card for entry 2221571

Structure parameters

• Common name: 3-Amino-5-methyl-5-(4-pyridyl)hydantoin
• Chemical name: 3-amino-5-methyl-5-(4-pyridyl)imidazolidene-2,4-dione
• Formula: C9 H10 N4 O2
• Calculated formula: C9 H10 N4 O2
• SMILES: O=C1NC(c2ccncc2)(C)C(=O)N1N
• Title of publication: 3-Amino-5-methyl-5-(4-pyridyl)hydantoin
• Authors of publication: Varbanov, Hristo; Buyukliev, Rossen; Bakalova, Adriana; Roller, Alexander
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o953
• a: 12.8282 ± 0.0005 Å
• b: 12.8282 ± 0.0005 Å
• c: 22.9016 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3768.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes