Information card for entry 7150854

Structure parameters

• Common name: 2,5'-Di((E)-2-chlorobenzylidene)-(1,2,3,4- tetrahydronaphthalen-1-one) 4-spiro-3'-(piperidine-2',6'-dione)
• Chemical name: 2,5'-Di[(E)-2-chlorobenzylidene]-[1,2,3,4-tetrahydronaphthalen-1-one] 4-spiro-3'-[piperidine-2',6'-dione]
• Formula: C28 H19 Cl2 N O3
• Calculated formula: C28 H19 Cl2 N O3
• SMILES: Clc1c(/C=C/2CC3(c4ccccc4C(=O)C(=C\c4c(Cl)cccc4)\C3)C(=O)NC2=O)cccc1
• Title of publication: Simple and facile synthesis of tetralone-spiro-glutarimides and spiro-bisglutarimides from Baylis‒Hillman acetates
• Authors of publication: Basavaiah, Deevi; Reddy, Raju Jannapu
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1034 - 1039
• a: 9.0278 ± 0.0007 Å
• b: 10.5146 ± 0.0009 Å
• c: 13.4184 ± 0.0011 Å
• α: 79.22 ± 0.001°
• β: 75.225 ± 0.001°
• γ: 72.025 ± 0.001°
• Cell volume: 1163.34 ± 0.16 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0557
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No