Information card for entry 8000263

Structure parameters

• Common name: N-Benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• Formula: C15 H15 N5 O
• Calculated formula: C15 H15 N5 O
• Title of publication: Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates
• Authors of publication: Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller
• Journal of publication: Bioorganic & Medicinal Chemistry Letters
• Year of publication: 2014
• Journal volume: 24
• Pages of publication: 3493 - 3498
• a: 20.3189 ± 0.0011 Å
• b: 10.8268 ± 0.0005 Å
• c: 15.6023 ± 0.0009 Å
• α: 90°
• β: 129.107 ± 0.003°
• γ: 90°
• Cell volume: 2663.4 ± 0.3 ų
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No