Information card for entry 1546529

Structure parameters

• Chemical name: N,N-Dibenzyl-1,2-dimethyl-5-tosyl-1H-imidazol-4-amine
• Formula: C26 H27 N3 O2 S
• Calculated formula: C26 H27 N3 O2 S
• SMILES: S(=O)(=O)(c1n(c(nc1N(Cc1ccccc1)Cc1ccccc1)C)C)c1ccc(cc1)C
• Title of publication: Mechanistic Pathways in Amide Activation: Flexible Synthesis of Oxazoles and Imidazoles.
• Authors of publication: Di Mauro, Giovanni; Maryasin, Boris; Kaiser, Daniel; Shaaban, Saad; González, Leticia; Maulide, Nuno
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 14
• Pages of publication: 3815 - 3818
• a: 9.3234 ± 0.0009 Å
• b: 9.9427 ± 0.001 Å
• c: 13.0102 ± 0.0013 Å
• α: 78.305 ± 0.003°
• β: 78.596 ± 0.003°
• γ: 73.067 ± 0.003°
• Cell volume: 1117.35 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No