Information card for entry 7128056

Structure parameters

• Chemical name: N-(2,6-dimethylphenyl)-2-pivalamidobenzamide
• Formula: C20 H22 N2 O2
• Calculated formula: C20 H22 N2 O2
• SMILES: c1(cccc(c1NC(=O)c1ccccc1NC(=O)C(C)(C)C)C)C
• Title of publication: Palladium-catalyzed Ugi-type reaction of 2-iodoanilines with isocyanides and carboxylic acids affording <i>N</i>-acyl anthranilamides.
• Authors of publication: Yao, Tuanli; Wang, Bo; Ren, Beige; Qin, Xiangyang; Li, Tao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 35
• Pages of publication: 4247 - 4250
• a: 13.135 ± 0.002 Å
• b: 10.7195 ± 0.0017 Å
• c: 13.166 ± 0.002 Å
• α: 90°
• β: 102.281 ± 0.01°
• γ: 90°
• Cell volume: 1811.4 ± 0.5 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 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: 0.1789
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No