Information card for entry 7235640

Structure parameters

• Chemical name: N-(4-amino-5-cyano-3-phenylpyridin-2-yl)-4-methyl-N-phenylbenzenesulfonamide
• Formula: C25 H20 N4 O2 S
• Calculated formula: C25 H20 N4 O2 S
• Title of publication: Synthesis of multi-substituted 4-aminopyridines via ring-opening and recyclization reactions of 2-iminopyridines
• Authors of publication: Zhou, Fenguo; Zhang, Ning; Xin, Xiaoqing; Zhang, Xun; Liang, Yongjiu; Zhang, Rui; Dong, Dewen
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 35
• Pages of publication: 18198
• a: 9.031 ± 0.003 Å
• b: 16.026 ± 0.005 Å
• c: 15.958 ± 0.005 Å
• α: 90°
• β: 98.402 ± 0.006°
• γ: 90°
• Cell volume: 2284.8 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1351
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No