Information card for entry 2236559

Structure parameters

• Chemical name: 4'-(4-Chlorophenyl)-3'-(4-methoxyphenyl)-3,4-dihydro-1<i>H</i>,4'<i>H</i>- spiro[acridine-2,5'-isoxazol]-1-one
• Formula: C28 H21 Cl N2 O3
• Calculated formula: C28 H21 Cl N2 O3
• SMILES: c12ccccc1cc1c(CC[C@@]3(C1=O)[C@H](C(c1ccc(cc1)OC)=NO3)c1ccc(cc1)Cl)n2.c12ccccc1cc1c(CC[C@]3(C1=O)[C@@H](C(c1ccc(cc1)OC)=NO3)c1ccc(cc1)Cl)n2
• Title of publication: 4'-(4-Chlorophenyl)-3'-(4-methoxyphenyl)-3,4-dihydro-1<i>H</i>,4'<i>H</i>-spiro[acridine-2,5'-isoxazol]-1-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: 11
• Pages of publication: o3177
• a: 12.1626 ± 0.0004 Å
• b: 16.2747 ± 0.0006 Å
• c: 12.196 ± 0.0004 Å
• α: 90°
• β: 107.704 ± 0.002°
• γ: 90°
• Cell volume: 2299.78 ± 0.14 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: 0.0516
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes