Information card for entry 2221168

Structure parameters

• Chemical name: 2-(2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidenehydrazono)- 1,3-thiazolidin-4-one
• Formula: C23 H24 N4 O S
• Calculated formula: C23 H24 N4 O S
• SMILES: C1(=O)CSC(=NN=C2[C@@H]3CCC[C@H]2[C@@H](c2ccccc2)N[C@H]3c2ccccc2)N1
• Title of publication: 2-(2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidenehydrazono)-1,3-thiazolidin-4-one
• Authors of publication: Ramachandran, R.; Rani, M.; Kabilan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o584
• a: 8.3183 ± 0.0003 Å
• b: 10.8435 ± 0.0004 Å
• c: 22.7417 ± 0.0008 Å
• α: 90°
• β: 92.483 ± 0.002°
• γ: 90°
• Cell volume: 2049.36 ± 0.13 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: 0.1321
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes