Crystal structure of 3-(4-chlorophenoxy)4-(2-nitrophenyl)azetidin-2-one with an unknown solvate

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Celikesir S. T. , AKKURT M. , Jarrahpour A., Shafie H. A. , Celik O.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.71, 2015 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 71
  • Publication Date: 2015
  • Doi Number: 10.1107/s2056989014025845


In the title compound, C15H11ClN2O4, the central beta-lactam ring is approximately planar [maximum deviation = 0.044 (2) angstrom for the N atom from the mean plane] and subtends dihedral angles of 61.17 (11) and 40.21 (12)degrees, respectively, with the nitro and chlorobenzene rings. Both substituents lie to the same side of the beta-lactam core. In the crystal, N-H center dot center dot center dot O hydrogen bonds link the molecules into C(4) chains propagating in [010]. The chains are cross-linked by C-H center dot center dot center dot O and weak C-H center dot center dot center dot pi interactions, generating a three-dimensional network. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148-155], which indicated a solvent cavity of volume 318 angstrom(3) containing approximately 114 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data.