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6850574 
Journal Article 
STRUCTURE OF 5-ARYL-5-NITRO-2-R-1,3-DIOXANES 
Khusainov, MA; Khusainov, MA; Kirillov, IT; Kirillov, IT; Kukovitskii, DM; Kukovitskii, DM; Obodovskaya, AE; Obodovskaya, AE; Starikova, ZA; Starikova, ZA; Musavirov, RS; Musavirov, RS; Zorin, VV; Zorin, VV; Rakhmankulov, DL; Rakhmankulov, DL 
1990 
Yes 
Journal of Structural Chemistry
ISSN: 0022-4766
EISSN: 1573-8779 
31 
3 
475-479 
WOS:A1990HQ34700020 
A study was carried out on the conformation of the dioxane ring and orientation of the substituents in 5-aryl-5-nitro-2-R-1,3-dioxanes using x-ray diffraction strucutral analysis and NMR spectroscopy. Analysis of the H-1 NMR spectra indicated that the isomer with axial orientation of the nitro group predominates, while the dioxane ring has chair conformation. The x-ray diffraction structural analysis of 5-nitro-5-(4-cyanophenyl)-2-phenyl-1,3-dioxane on an automatic diffractometer using Mo radiation, the direct method, anisotropic refinement for the nonhydrogen atoms, and isotropic refinement of the hydrogen atoms (R = 0.048 relative to 1484 reflections) showed that the dioxane ring has chair conformation, in which the acetal fragment is more puckered than the aliphatic fragment. The nitro group has axial orientation, while the phenyl group at C2 has equatorial orientation.< 
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