Information card for entry 2238768

Structure parameters

• Chemical name: 6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one
• Formula: C19 H19 N O S
• Calculated formula: C19 H19 N O S
• SMILES: O=C1CC2(CSC(N1c1ccccc1)c1ccccc1)CC2
• Title of publication: 6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one
• Authors of publication: Yennawar, Hemant P.; Silverberg, Lee J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1659
• a: 9.9954 ± 0.0018 Å
• b: 10.695 ± 0.002 Å
• c: 16.397 ± 0.003 Å
• α: 79.764 ± 0.003°
• β: 83.659 ± 0.003°
• γ: 73.048 ± 0.003°
• Cell volume: 1646.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No