Information card for entry 7200280

Structure parameters

• Formula: C11 H13 N O3 S
• Calculated formula: C11 H13 N O3 S
• SMILES: S1(=O)(=O)[C@@H]2[C@@H](c3ccccc3)N(CC1)OC2.S1(=O)(=O)[C@H]2[C@H](c3ccccc3)N(CC1)OC2
• Title of publication: A green chemical approach for the N-alkylation of aldoximes to form nitrones in organized aqueous media and their in situ cycloaddition with olefins
• Authors of publication: Hota, Sandip K.; Chatterjee, Amrita; Bhattacharya, Pranab K.; Chattopadhyay, Partha
• Journal of publication: Green Chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 169
• a: 17.1392 ± 0.0005 Å
• b: 6.0512 ± 0.0002 Å
• c: 10.9857 ± 0.0004 Å
• α: 90°
• β: 93.007 ± 0.002°
• γ: 90°
• Cell volume: 1137.79 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No