Information card for entry 2217393

Structure parameters

• Chemical name: N-(1-Acetyl-r-7,c-9-diphenyl-4,8-dithia-1,2-diazaspiro[5.4]dec-2-en-3- yl)acetamide
• Formula: C22 H23 N3 O2 S2
• Calculated formula: C22 H23 N3 O2 S2
• SMILES: [C@@H]1(CC2(C[C@@H](c3ccccc3)S1)N(C(=O)C)N=C(NC(=O)C)S2)c1ccccc1
• Title of publication: <i>N</i>-(1-Acetyl-<i>r</i>-7,<i>c</i>-9-diphenyl-4,8-dithia-1,2-diazaspiro[5.4]dec-2-en-3-yl)acetamide
• Authors of publication: D. Gayathri; D. Velmurugan; S. Umamatheswari; S. Kabilan; K. Ravikumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o494 - o495
• a: 12.331 ± 0.0007 Å
• b: 16.0218 ± 0.0009 Å
• c: 12.3852 ± 0.0007 Å
• α: 90°
• β: 116.714 ± 0.001°
• γ: 90°
• Cell volume: 2185.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes