Information card for entry 2219597

Structure parameters

• Chemical name: 8-Ethyl-2-hydroxy-2-methyl-4-morpholinoethyl-1-thia- 4-azaspiro[4.5]decan-3-one
• Formula: C17 H30 N2 O3 S
• Calculated formula: C17 H30 N2 O3 S
• SMILES: S1C(O)(C(=O)N(C21CCC(CC2)CC)CCN1CCOCC1)C
• Title of publication: 8-Ethyl-2-hydroxy-2-methyl-4-morpholinoethyl-1-thia-4-azaspiro[4.5]decan-3-one
• Authors of publication: Akkurt, Mehmet; Yalçın, Şerife Pınar; Klip, Nalan Terzioğlu; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1939 - o1940
• a: 8.1878 ± 0.0004 Å
• b: 10.2241 ± 0.0005 Å
• c: 12.2188 ± 0.0006 Å
• α: 79.901 ± 0.004°
• β: 73.796 ± 0.004°
• γ: 67.674 ± 0.004°
• Cell volume: 905.83 ± 0.08 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0407
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes