Information card for entry 7105074

Structure parameters

• Common name: P-NO2-C6H4SO2NCHN(C2H5)2
• Formula: C11 H15 N3 O4 S
• Calculated formula: C11 H15 N3 O4 S
• SMILES: S(=O)(=O)(/N=C/N(CC)CC)c1ccc(N(=O)=O)cc1
• Title of publication: Facile synthesis of sulfonyl amidines via carbon‒nitrogen bond formation mediated by FeCl3
• Authors of publication: Sujing Wang; Zhiyong Wang; Xiaoqi Zheng
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7372 - 7374
• a: 6.366 ± 0.005 Å
• b: 10.293 ± 0.005 Å
• c: 12.008 ± 0.005 Å
• α: 115.154 ± 0.005°
• β: 102.366 ± 0.005°
• γ: 92.033 ± 0.005°
• Cell volume: 688.5 ± 0.7 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 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: 0.0351
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No