Information card for entry 7239431

Structure parameters

• Formula: C14 H16 Cl N2 O S2
• Calculated formula: C14 H16 Cl N2 O S2
• Title of publication: An efficient and green procedure for synthesis of rhodanine derivatives by aldol-thia-Michael protocol using aqueous diethylamine medium
• Authors of publication: Barakat, Assem; Al-Majid, Abdullah M.; AL-Najjar, Hany J.; Mabkhot, Yahia N.; Ghabbour, Hazem A.; Fun, Hoong-Kun
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 4909
• a: 7.3389 ± 0.0002 Å
• b: 13.0121 ± 0.0003 Å
• c: 17.6769 ± 0.0004 Å
• α: 90°
• β: 100.169 ± 0.002°
• γ: 90°
• Cell volume: 1661.53 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No