Information card for entry 2014974

Structure parameters

• Common name: 3-amino-cyclohexanspiro-5-hydantoin
• Chemical name: 3-amino-1,3-diazaspiro[4.5]decane-2,4-dione or 1'-aminocyclohexanespiro-4'-imidazole-2',5'(3'H,4'H)-dione
• Formula: C8 H13 N3 O2
• Calculated formula: C8 H13 N3 O2
• SMILES: C1(=O)NC2(C(=O)N1N)CCCCC2
• Title of publication: Dimorphism in 3'-aminocyclohexanespiro-5'-hydantoin
• Authors of publication: Boris Shivachev; Rosica Petrova; Emilia Naydenova
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o524 - o526
• a: 14.0813 ± 0.0013 Å
• b: 10.2094 ± 0.0019 Å
• c: 12.372 ± 0.003 Å
• α: 90°
• β: 91.621 ± 0.014°
• γ: 90°
• Cell volume: 1777.9 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.1193
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No