Information card for entry 2008494

Structure parameters

• Chemical name: 7-aminothiazolino[3,2a]pyrimidin-5-one
• Formula: C6 H7 N3 O S
• Calculated formula: C6 H7 N3 O S
• SMILES: S1CCn2c(=O)cc(N)nc12
• Title of publication: 7-Amino-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-one
• Authors of publication: Low, John Nicolson; Ferguson, George; Melguizo, Manuel; Sanchez, Adolfo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: IUC9900048
• a: 7.4603 ± 0.0005 Å
• b: 9.5852 ± 0.0006 Å
• c: 10.4734 ± 0.0006 Å
• α: 90°
• β: 106.713 ± 0.005°
• γ: 90°
• Cell volume: 717.3 ± 0.08 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• 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: 0.054
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No