Structure of cis,cis-4,6-diphenyl-2-(2-propenyl)-1,3-dioxa-2-phosphorinane 2-oxide.
C18H19O3P, M(r) = 314.32, monoclinic, P2(1)/n, a = 5.726 (6), b = 14.234 (7), c = 20.08 (1) A, beta = 92.54 (7) degrees, V = 1635 (4) A3, Z = 4, Dx = 1.277 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 1.71 cm-1, F(000) = 664, T = 296 K, R = 0.042, 1813 unique observed reflections. The X-ray structure determination of the title compound shows that the dioxaphosphorinane ring has a chair conformation in which the phosphoryl O atom (P=O) is equatorial, which explains the absence of substantial NMR deshielding by its P=O group on H(4) and H(6), which are axial.
Hua
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Department of Chemistry, Kansas State University, Manhattan 66506.
Roche
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Bharathi
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Wu
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Robinson
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D003460:Crystallization; D003498:Cyclic P-Oxides / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D014961:X-Ray Diffraction
D003498:Cyclic P-Oxides; C078299:4,6-diphenyl-2-(2-propenyl)-1,3-dioxa-2-phosphorinane 2-oxide