Information card for entry 7110194

Structure parameters

• Formula: C24 H24 N2 O2 S
• Calculated formula: C24 H24 N2 O2 S
• SMILES: S(=O)(=O)(/N=C(N(Cc1ccccc1)Cc1ccccc1)\C=C)c1ccc(C)cc1
• Title of publication: A 1,3-amino group migration route to form acrylamidines
• Authors of publication: Dinesh Pratapsinh Chauhan; Sreejith Jayasree Varma; Arjun Vijeta; Pallavi Banerjee; Pinaki Talukdar
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 323
• a: 20.925 ± 0.003 Å
• b: 11.0264 ± 0.0014 Å
• c: 18.65 ± 0.002 Å
• α: 90°
• β: 92.884 ± 0.005°
• γ: 90°
• Cell volume: 4297.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No