Information card for entry 7059222

Structure parameters

• Common name: Sulfonamide chalcone
• Chemical name: (E)-3-(2-chlorophenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one
• Formula: C22 H19 N O4 S
• Calculated formula: C22 H19 N O4 S
• Title of publication: On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors
• Authors of publication: Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3294 - 3309
• a: 11.6707 ± 0.0012 Å
• b: 12.5558 ± 0.0013 Å
• c: 13.3311 ± 0.0014 Å
• α: 90°
• β: 101.004 ± 0.003°
• γ: 90°
• Cell volume: 1917.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0712
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No