Information card for entry 7056910

Structure parameters

• Common name: sulfonamide chalcone
• Chemical name: chalcone2,5-dichloro-N-{3-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl}benzenesulfonamide
• Formula: C21 H14 Cl2 N2 O5 S
• Calculated formula: C21 H14 Cl2 N2 O5 S
• Title of publication: Structural insights into a novel anticancer sulfonamide chalcone
• Authors of publication: Custodio, Jean M. F.; Michelini, Lidiane J.; de Castro, Mirian Rita C.; Vaz, Wesley F.; Neves, Bruno J.; Cravo, Pedro V. L.; Barreto, Francisco S.; Filho, Manoel O. M.; Perez, Caridad N.; Napolitano, Hamilton B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 3426
• a: 22.2982 ± 0.0018 Å
• b: 8.5917 ± 0.0008 Å
• c: 26.0739 ± 0.0014 Å
• α: 90°
• β: 112.116 ± 0.005°
• γ: 90°
• Cell volume: 4627.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1699
• 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: Yes
• Has Fobs: No