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    • Keywords


      Basis Atom; Occupancy Factor; Trial Structure; Major Atom; Isotropic Temperature Factor

    • Abstract


      The molecule crystallizes in spacegroup P21 with two molecules per unit cell. The unit cell dimensions area = 6.044 Å,b = 13.607 Å,c = 5.311 Å,γ = 97.55°. The density was calculated to be 1.512 g.ml.−1 and found to be 1.51 g.ml.−1 The major atoms were located by the reliable image method and the hydrogen atoms were located from a difference electron density map. Full-matrix least squares refinement of the parameters yielded an unweighted residual indexR of 0.088.

      The bond lengths and angles of the amino acid grouping are consistent with values in other amino acids. The structural parameters of the aromatic system are very similar to those of noradrenaline and dopamine hydrochlorides. The crystal structure is dominated by a three-dimensional intermolecular hydrogen bonding system. The molecular conformation is different from that displayed by any other aromatic amino acid or peptide whose crystal structure is known.

    • Author Affiliations


      Joseph W Becker1 2 Y T Thathachari1 Paul G Simpson1 3

      1. Departments of Chemistry and Dermatology, Stanford University, Stanford, California - 94305, USA
      2. The Rockefeller University, New York, N.Y. - 10021
      3. Department of Chemistry, Oregon State University, Corvallis, Oregon - 97331
    • Dates


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