• S Selladurai

      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.

    • Crystal and molecular structure of 3-benzoylpropionic acid

      S Selladurai M Senthil Kumar K Subramanian

      More Details Abstract Fulltext PDF

      C10H10O3, monoclinic,P21/c,a=15·071(10),b=5·435(9),c=16·058(10) Å, β=129·57 (10)o,V=1013·7Å3,Z=4,Dm=1·17 gm/cm3,Dc=1·16 gm/cm3, λ (CuKα)=1·5418Å, μ=6·8 cm−1,Mr=178·2. The structure was refined toR=0·10 for 637 observed reflections. The intensity data were estimated visually by the equi-inclination multiple film Weissenberg technique withb as the rotation axis using Ni-filtered CuKα radiation. The interplanar angle between the carboxyl group and the benzene ring is 81(1)o. The molecules are linked in dimers around a centre of symmetry by O−H…O hydrogen bonds (2·76Å).

  • Journal of Chemical Sciences | News

© 2021-2022 Indian Academy of Sciences, Bengaluru.