Information card for entry 2236948

Structure parameters

• Chemical name: (2<i>RS</i>,5'<i>RS</i>)-3',4'-Bis(4-chlorophenyl)-3,4- dihydrospiro[acridine-2,5'(4'<i>H</i>)-[1,2]oxazol]-1(2<i>H</i>)-one
• Formula: C27 H18 Cl2 N2 O2
• Calculated formula: C27 H18 Cl2 N2 O2
• SMILES: c12ccccc1cc1c(CC[C@@]3(C1=O)[C@H](C(c1ccc(cc1)Cl)=NO3)c1ccc(cc1)Cl)n2.c12ccccc1cc1c(CC[C@]3(C1=O)[C@@H](C(c1ccc(cc1)Cl)=NO3)c1ccc(cc1)Cl)n2
• Title of publication: (2<i>RS</i>,5'<i>RS</i>)-3',4'-Bis(4-chlorophenyl)-3,4-dihydrospiro[acridine-2,5'(4'<i>H</i>)-[1,2]oxazol]-1(2<i>H</i>)-one
• Authors of publication: Narayanan, Ponmudisettu; Maheswari, Shanmugavel Uma; Sethusankar, Krishnan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3289
• a: 7.6493 ± 0.0004 Å
• b: 15.1553 ± 0.0007 Å
• c: 19.4802 ± 0.0008 Å
• α: 90°
• β: 90.392 ± 0.001°
• γ: 90°
• Cell volume: 2258.24 ± 0.18 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: 0.0769
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes