Information card for entry 8000261

Structure parameters

• Common name: N-Benzyl-6-methyl-2H-indazole-3-carboxamide
• Formula: C16 H15 N3 O
• Calculated formula: C16 H15 N3 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: 5.9164 ± 0.0002 Å
• b: 13.074 ± 0.0003 Å
• c: 18.5711 ± 0.0005 Å
• α: 109.499 ± 0.001°
• β: 93.229 ± 0.002°
• γ: 94.402 ± 0.002°
• Cell volume: 1344.97 ± 0.07 ų
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No