Information card for entry 2004806

Structure parameters

• Formula: C10 H12 N4 O2
• Calculated formula: C10 H12 N4 O2
• SMILES: CCOC(=O)Cc1cc(C)nc2n1ncn2
• Title of publication: 7-Ethoxycarbonylmethyl-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine
• Authors of publication: Fettouhi, M.; Boukhari, A.; El Otmani, B.; Essassi, E. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1031 - 1032
• a: 11.507 ± 0.006 Å
• b: 12.179 ± 0.001 Å
• c: 7.928 ± 0.01 Å
• α: 90°
• β: 90.03 ± 0.03°
• γ: 90°
• Cell volume: 1111.1 ± 1.5 ų
• Cell temperature: 298 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 significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 1.55
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No