Synthesis and Crystal Structure of Diisopropyl Hydroxy(4-methoxyphenyl)methylphosphonate |
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Authors: | Hua Fang Mei Juan Fang Rui Zao Yi Yu Fen Zhao |
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Institution: | (1) The Third Institute of Oceanography of the State Oceanic Administration, Xiamen, 361005, People’s Republic of China;(2) Department of Pharmaceutical Science, Medical College, Xiamen University, Xiamen, 361005, People’s Republic of China;(3) Department of Chemistry, Key Laboratory for Chemical Biology of Fujian Province, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, People’s Republic of China |
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Abstract: | Abstract The title compound, C14H23O5P, was synthesized by the reaction of 4-methoxybenzaldehyde and diisopropyl phosphite. Its structure was determined with X-ray
crystallographic, NMR, MS, and elemental analysis (EA) techniques. The crystal belongs to monoclinic, space group P 21/n with the following crystallographic parameters: a = 10.529 (2) ?, b = 8.424 (2) ?, c = 19.448 (4) ?, α = 90°, β = 105.2 (3)°, γ = 90°, μ = 0.180 mm−1, V = 1664.1 (6) ?3, Z = 4, Dx = 1.207 mg/mm3, F (000) = 648, T = 293 (2) K, 2.00° ≤ θ ≤ 25.50°. The final residual factor is 0.049 for 1933 reflections with I > 2σ (I). Crystal packing is stabilized by interatomic hydrogen bond interactions between the doubly bonded phosphoryl O atom and
the hydroxyl H atom which link the molecules into chains along the 011] plane of the unit cell.
Index Abstract The title compound, diisopropyl hydroxy(4-methoxyphenyl)methylphosphonate, was synthesized by the reaction of 4-methoxybenzaldehyde
and diisopropyl phosphite. Its structure was determined with X-ray crystallographic, NMR, MS, and elemental analysis (EA)
techniques. Crystal packing is stabilized by interatomic hydrogen bond interactions between the doubly bonded phosphoryl O
atom and the hydroxyl H atom which link the molecules into chains along the 011] plane of the unit cell.
![MediaObjects/10870_2008_9386_Figa_HTML.gif](/content/m746r20117w31652/MediaObjects/10870_2008_9386_Figa_HTML.gif) |
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Keywords: | Synthesis Crystal structure α -Hydroxyphosphonate |
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