Information card for entry 8000262

Structure parameters

• Common name: N-Benzyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• Formula: C15 H14 N4 O
• Calculated formula: C15 H14 N4 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: 9.772 ± 0.003 Å
• b: 5.8461 ± 0.0019 Å
• c: 22.078 ± 0.007 Å
• α: 90°
• β: 91.411 ± 0.006°
• γ: 90°
• Cell volume: 1260.9 ± 0.7 ų
• Ambient diffraction temperature: 120 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: 0.08
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No