Information card for entry 2018842

Structure parameters

• Chemical name: <i>N</i>-{4-[(<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl}benzenesulfonamide
• Formula: C22 H19 N O4 S
• Calculated formula: C22 H19 N O4 S
• SMILES: S(=O)(=O)(Nc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1)c1ccccc1
• Title of publication: An additional methylene group driving the conformation and assembly of two arylsulfonamide <i>para</i>-alkoxychalcone hybrids
• Authors of publication: de Castro, Mirian R. C.; Aragão, Angelo Q.; Napolitano, Hamilton B.; Noda-Perez, Caridad; Martins, Felipe T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 267 - 272
• a: 11.865 ± 0.0003 Å
• b: 12.242 ± 0.0003 Å
• c: 14.7287 ± 0.0003 Å
• α: 68.075 ± 0.001°
• β: 81.665 ± 0.001°
• γ: 80.437 ± 0.001°
• Cell volume: 1948.99 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0921
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes