Crystal structure of 3,3 '-dimethoxybenzydine (2-hydroxybenzal) diimine


AYGUN M., GOKCE A., AKKUS N. İ. , Ozbey S.

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, vol.34, no.1, pp.73-77, 2004 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 34 Issue: 1
  • Publication Date: 2004
  • Doi Number: 10.1023/b:jocc.0000014692.35930.ad
  • Title of Journal : JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
  • Page Numbers: pp.73-77

Abstract

Molecular and crystal structure of 3,3'-dimethoxybenzydine(2-hydroxybenzal)diimine, C28H24N2O4, have been determined by single crystal X-ray diffraction study. The title compound is monoclinic, with a = 18.045(2) Angstrom, b = 11.725(4) Angstrom, c = 12.436(6) Angstrom, beta = 120.03(3)degrees, Z = 4, D-x = 1.32 g/cm(3), mu(MoKalpha) = 0.089 mm(-1), and space group is C2/c. The structure was solved by direct methods and refined to a final R = 0.056 for 2325 reflections with I > 2sigma(I). There is half independent molecule in the asymmetric unit. The molecule has a twofold symmetry on the mid point of the C4-C4(i) bond. The N1=C8 imine bond length of 1.284(3) Angstrom is typical of a double bond. The molecule of the title compound is not planar. There is a strong intramolecular hydrogen bond between hydroxy oxygen atom and imine nitrogen atom. The crystal structure is stabilized by a weak intermolecular hydrogen bond of the C-H...O type forming three-dimensional cage.