Information card for entry 1506184

Structure parameters

• Formula: C8 H9 N5 O2
• Calculated formula: C8 H9 N5 O2
• SMILES: c1[nH]c(c(c2noc(C)n2)n1)NC(=O)C
• Title of publication: N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.
• Authors of publication: Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 20
• Pages of publication: 4565 - 4568
• a: 6.9156 ± 0.0004 Å
• b: 9.5678 ± 0.0006 Å
• c: 14.8356 ± 0.0009 Å
• α: 90°
• β: 97.897 ± 0.002°
• γ: 90°
• Cell volume: 972.32 ± 0.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No