Information card for entry 2236270

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-1-(5-{[(2-phenylethenyl)sulfonyl]methyl}- 1,3,4-oxadiazol-2-yl)methanesulfonamide
• Formula: C18 H16 Cl N3 O5 S2
• Calculated formula: C18 H16 Cl N3 O5 S2
• SMILES: S(=O)(=O)(Nc1ccc(Cl)cc1)Cc1oc(nn1)CS(=O)(=O)/C=C\c1ccccc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)-1-(5-{[(2-phenylethenyl)sulfonyl]methyl}-1,3,4-oxadiazol-2-yl)methanesulfonamide
• Authors of publication: Muralikrishna, A.; Kannan, M.; Padmavathi, V.; Padmaja, A.; Krishna, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2954
• a: 21.1387 ± 0.0012 Å
• b: 5.4443 ± 0.0002 Å
• c: 18.3484 ± 0.0011 Å
• α: 90°
• β: 107.81 ± 0.007°
• γ: 90°
• Cell volume: 2010.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1032
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes