Information card for entry 4037643

Structure parameters

• Formula: C16 H14 N2 O2 S
• Calculated formula: C16 H14 N2 O2 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)c1ncn(c2ccccc2)c1
• Title of publication: Aryl Azides as Forgotten Electrophiles in the Van Leusen Reaction: A Multicomponent Transformation Affording 4-Tosyl-1-arylimidazoles.
• Authors of publication: Necardo, Cristiana; Alfano, Antonella Ilenia; Del Grosso, Erika; Pelliccia, Sveva; Galli, Ubaldina; Novellino, Ettore; Meneghetti, Fiorella; Giustiniano, Mariateresa; Tron, Gian Cesare
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 5.7417 ± 0.0009 Å
• b: 9.3943 ± 0.0015 Å
• c: 27.095 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1461.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No