Information card for entry 2311250

Structure parameters

• Chemical name: 3-(2,4-Dichlorophenoxy)-1-(4-methoxybenzyl)-4-(4-nitrophenyl)azetidin-2-one
• Formula: C23 H18 Cl2 N2 O5
• Calculated formula: C23 H18 Cl2 N2 O5
• SMILES: Clc1ccc(O[C@@H]2C(=O)N([C@@H]2c2ccc(N(=O)=O)cc2)Cc2ccc(OC)cc2)c(Cl)c1.Clc1ccc(O[C@H]2C(=O)N([C@H]2c2ccc(N(=O)=O)cc2)Cc2ccc(OC)cc2)c(Cl)c1
• Title of publication: 3-(2,4-Di-chloro-phen-oxy)-1-(4-meth-oxy-benz-yl)-4-(4-nitro-phen-yl)azetidin-2-one.
• Authors of publication: Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 8
• Pages of publication: o835 - 6
• a: 5.0716 ± 0.0005 Å
• b: 20.939 ± 0.0012 Å
• c: 20.1516 ± 0.0018 Å
• α: 90°
• β: 96.457 ± 0.007°
• γ: 90°
• Cell volume: 2126.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1166
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No