Information card for entry 2225474

Structure parameters

• Chemical name: 2-[2-(2,6-Dichloroanilino)phenyl]-<i>N</i>-[(2<i>S</i>)-2-methyl-3-oxo- 8-phenyl-1-thia-4-azaspiro[4.5]dec-4-yl]acetamide
• Formula: C29 H29 Cl2 N3 O2 S
• Calculated formula: C29 H29 Cl2 N3 O2 S
• Title of publication: 2-[2-(2,6-Dichloroanilino)phenyl]-<i>N</i>-[(2<i>S</i>)-2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]dec-4-yl]acetamide
• Authors of publication: Akkurt, Mehmet; Nassozi, Mebble; Kocabalkanlı, Ayşe; Khan, Islam Ullah; Sharif, Shahzad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o882
• a: 11.6105 ± 0.0006 Å
• b: 24.313 ± 0.0012 Å
• c: 9.8137 ± 0.0005 Å
• α: 90°
• β: 95.335 ± 0.002°
• γ: 90°
• Cell volume: 2758.3 ± 0.2 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: 0.1263
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes