Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene] methyl} amino) acetate


Mohamed S. K. , AKKURT M. , Mague J. T. , Ahmed E. A. , Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.70, 2014 (Journal Indexed in ESCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 70
  • Publication Date: 2014
  • Doi Number: 10.1107/s1600536814016766
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS

Abstract

The title compound, C14H15N3O4, is nearly planar, the dihedral angle between the planes of the phenyl and pyrazolidine rings being 1.13 (7) angstrom, and that between the plane of the pyrazolidine ring and the mean plane of the side chain [C-N-C-C(O)-O; r.m.s. deviation = 0.024 angstrom] being 2.52 (7)degrees. This is due in large part to the presence of the intramolecular N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds. In the crystal, pairwise N-H center dot center dot center dot O hydrogen bonds form inversion dimers, which are further associated into layers, lying very close to plane (120), via pairwise C-H center dot center dot center dot O hydrogen bonds. The layers are then weakly connected through C-H center dot center dot center dot O hydrogen bonds, forming a three-dimensional structure.