Information card for entry 2018843

Structure parameters

• Chemical name: <i>N</i>-{4-[(<i>E</i>)-3-(4-Ethoxyphenyl)prop-2-enoyl]phenyl}benzenesulfonamide
• Formula: C23 H21 N O4 S
• Calculated formula: C23 H21 N O4 S
• SMILES: S(=O)(=O)(Nc1ccc(C(=O)/C=C/c2ccc(OCC)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: 8.4506 ± 0.0002 Å
• b: 20.1587 ± 0.0006 Å
• c: 14.212 ± 0.0003 Å
• α: 90°
• β: 119.098 ± 0.002°
• γ: 90°
• Cell volume: 2115.49 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0701
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes