• C Nagaraju

      Articles written in Journal of Chemical Sciences

    • Crystal and molecular structure of 6-t-butyl-3-cyclohexyl-3,4-dihydro-2-(2-chlorophenoxy)-2H-1,3,2-benzoxazaphosphorine-2-oxide

      S Selladurai K Subramanian C Nagaraju

      More Details Abstract Fulltext PDF

      The structure of the title compound was determined by the Patterson method and refined to anR of 0·10 for 8065 observed reflections. The crystals are triclinicP1,a=12·408(2),b=13·157(2),c=14·479(8)Å, α=74·706(8), β=88·728(9), γ=88·660(13)° withZ=4. The intensity data were collected on an Enraf-Nonius CAD-4 single crystal X-ray diffractometer. The benzoxazaphosphorine ring adopts a conformation intermediate between a half-chair and a sofa with the phosphoryl oxygen O(2) in an axial and the 2-chlorophenyl andt-butyl groups which aretrans to each other in equatorial positions. The cyclohexyl ring adopts a chair conformation with the nitrogen atomN(5) in an equatorial position. In one conformation of the molecule (I) thet-butyl group atoms and one of the carbon atoms, C(24) in the cyclohexyl ring are disordered. In the other conformation (molecule II) the 2-chlorophenyl ring adopts a conformation midway between a half-chair and a sofa. The molecular packing involves mainly van der Waals contacts.

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