Information card for entry 2242138

Structure parameters

• Common name: 2-Cyano-3,3-bis(ethylthio)-<i>N</i>-<i>o</i>-tolylacrylamide
• Chemical name: 2-Cyano-3,3-bis(ethylsulfanyl)-<i>N</i>-(2-methylphenyl)prop-2-enamide
• Formula: C15 H18 N2 O S2
• Calculated formula: C15 H18 N2 O S2
• Title of publication: Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-<i>N</i>-<i>o</i>-tolylacrylamide
• Authors of publication: Azzam, Rasha A.; Elgemeie, Galal H.; Ramadan, Rokia; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 752 - 754
• a: 9.4104 ± 0.0004 Å
• b: 12.835 ± 0.0004 Å
• c: 13.0774 ± 0.0005 Å
• α: 90°
• β: 104.198 ± 0.004°
• γ: 90°
• Cell volume: 1531.27 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes