Information card for entry 7250420

Structure parameters

• Formula: C12 H14 N2 O2 S
• Calculated formula: C12 H14 N2 O2 S
• Title of publication: Electrochemical selective incorporation of SO2 to synthesize fused-ring framework compounds
• Authors of publication: Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6825 - 6830
• a: 7.5524 ± 0.0004 Å
• b: 8.9178 ± 0.0005 Å
• c: 9.358 ± 0.0005 Å
• α: 83.619 ± 0.004°
• β: 80.454 ± 0.005°
• γ: 66.215 ± 0.005°
• Cell volume: 568.07 ± 0.06 ų
• Cell temperature: 296.74 ± 0.1 K
• Ambient diffraction temperature: 296.74 ± 0.1 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: 0.0918
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2608
• Weighted residual factors for all reflections included in the refinement: 0.2676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No