Information card for entry 8000260

Structure parameters

• Common name: N-Benzyl-2,6-dimethyl-1H-indole-3-carboxamide
• Formula: C18 H18 N2 O
• Calculated formula: C18 H18 N2 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: 4.783 ± 0.0003 Å
• b: 25.5753 ± 0.0015 Å
• c: 11.9469 ± 0.0007 Å
• α: 90°
• β: 98.639 ± 0.003°
• γ: 90°
• Cell volume: 1444.84 ± 0.15 ų
• Ambient diffraction temperature: 100 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 all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No