• Vasantha Pattabhi

      Articles written in Pramana – Journal of Physics

    • Stereochemical calculations on substituted benzene and benzene-like compounds

      Vasantha Pattabhi

      More Details Abstract Fulltext PDF

      Semi-empirical calculations have been done on hexaphenyl benzene, triphenyl benzene ands-triphenyl triazine free molecules and the results are compared with X-ray crystal structure studies. The conformation of isolated molecule differs from that found in crystals. The agreement improves when packing forces are also included in the minimum energy calculations.

    • Crystal structure of 1-amino-2-phenyl benzocycloheptanol hydrobromide monohydrate

      Vasantha Pattabhi

      More Details Abstract Fulltext PDF

      Crystals of 1-amino 2-phenyl benzocycloheptanol hydrobromide monohydrate are orthorhombic witha=6·927(17),b=30·947(40),c=30·990(40) Å,z=16 and the space group is Iba2.ρ=1·41 gm/ccρcal=1·403 gm/cc,μ for CuKα=37.06 cm−1. The structure was solved by heavy atom method using three dimensional x-ray intensity data and refined by block diagonal and full matrix least squares method to anR-index of 0·106. The structure is stabilised by a number of hydrogen bonds of the type N-H…O, O-H…Br, N-H…Br. The heptane rings in this molecule are in chair conformation.

    • Crystal structure of N-m-tolyl phthalimide

      K Chandrasekhar Vasantha Pattabhi S Swaminathan

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      N-m-tolyl phthalimide, C15NO2H11 crystallizes in the space group Cc with unit cell dimensions,a=8·54(1),b=19·89(2),c = 7·59(1)A, β=114·53(1)° andZ=4.V=1173(2)A3,Dm=1·35(1),Dc = 1·344 mg.m−3,Mr=237 λCoKa=1·7903A. The structure was solved byMULTAN and refined to an R-factor of 0·116 for 632 counter reflections. The molecules are held together by van der Waal’s forces. The angle between the tolyl plane and the plane through the phthalimide group is 53·4(4)°.

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