Information card for entry 4034775

Structure parameters

• Chemical name: (Z)-4'-benzylidene-3'-(4-chlorophenyl)-1-methylspiro[indoline-3,5'-oxazolidine]-2,2'-dione
• Formula: C24 H17 Cl N2 O3
• Calculated formula: C24 H17 Cl N2 O3
• SMILES: c1(ccc(cc1)N1/C(=C\c2ccccc2)C2(OC1=O)c1ccccc1N(C)C2=O)Cl
• Title of publication: Copper-Catalyzed Domino Addition, Hydroamination, and Cyclization: A Multicomponent Approach to Spiro Oxazolidinone Derivatives.
• Authors of publication: Potuganti, Gal Reddy; Indukuri, Divakar Reddy; Nanubolu, Jagadeesh Babu; Alla, Manjula
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 24
• Pages of publication: 15186 - 15194
• a: 6.16338 ± 0.00008 Å
• b: 33.2578 ± 0.0005 Å
• c: 9.94383 ± 0.00014 Å
• α: 90°
• β: 100.205 ± 0.0008°
• γ: 90°
• Cell volume: 2006.04 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No