Information card for entry 8101594

Structure parameters

• Formula: C5 H5 N5 O
• Calculated formula: C5 H5 N5 O
• SMILES: O=c1[nH]c2ncnn2c(N)c1
• Title of publication: Crystal structure of 4,5-dihydro-7-amino-5-oxo-[1,2,4]-triazolo-[1, 5-a]pyrimidine, C~5~H~5~N~5~O
• Authors of publication: Orgueira, H.; Haj, M. A.; Salas, J. M.; Jensen, W. P; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 517 - 518
• a: 5.0756 ± 0.0006 Å
• b: 8.9631 ± 0.0008 Å
• c: 13.4484 ± 0.0007 Å
• α: 90°
• β: 92.509 ± 0.008°
• γ: 90°
• Cell volume: 611.22 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.055
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No