STRUCTURAL INVESTIGATION OF L-VALINE TRICHLORO ACETIC ACID

CRYSTALLOGRAPHY

L-valinum trichloro acetic acid is a monoclinic space group p21 with a=1.3452Åb=20.3055Åc=11.9131Å α=90.0°β=95.667°γ=90.0°,V=2490(13) Å^3and Z=8.The structure has been solved by direct and difference Fourier methods and refined by full matrix least squares to an R value 0.1993for 1456 reflections with intensities I>2σ(I) measured using CCD diffractometer. The amino nitrogen of the four valine residues belongs to class I, II and III types. The amino nitrogen of the valine residue of trichloroacetic acid through a strong hydrogen bonding. The amino nitrogen of valine residue II form a chelated three-centered hydrogen bonding with residue C of TCAA. The amino nitrogen of valine residue III forms two three –centered hydrogen bonding. The chlorine atoms C14, C16, C18and C19 of trichloroacetic acid exhibit positional order with site occupancies 0.55and 0.45 respectively.

This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.