Information card for entry 7059224

Structure parameters

• Common name: Sulfonamide chalcone
• Chemical name: (E)-3-(2-methoxyphenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one
• Formula: C21 H16 N2 O5 S
• Calculated formula: C21 H16 N2 O5 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: 14.0149 ± 0.0016 Å
• b: 7.6562 ± 0.0009 Å
• c: 18.38 ± 0.002 Å
• α: 90°
• β: 101.242 ± 0.004°
• γ: 90°
• Cell volume: 1934.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No