Synthesis and the crystal structure of (E)-2-(7-(3-(Thiophen-2-yl) acrylamido)-2,3-dihydro-5-oxobenzo[e][1,4]oxazepin-1(5H)-yl)ethyl acetate

Academic Article

Abstract

  • Details of the synthesis and crystal structure determination of (E)-2-(7-(3-(thiophen-2-yl)acrylamido)-2,3-dihydro-5-oxobenzo[e][1,4] oxazepin-1(5H)-yl)ethyl acetate are presented. The compound crystallizes in the triclinic P-1 space group (a = 8.3377(17), b = 9.792(2), c = 12.469(3) Å, α = 96.39(3)°, β = 108.50(3)°, γ = 97.68(3)°, V = 943.9(3) Å3, Z = 2). Interesting features of the structure include intermolecular hydrogen bonding between the amide proton on one molecule and the carbonyl oxygen of the dihydrooxazepinone ring on an adjacent molecule, the boat conformation of the dihydrooxazepinone ring, and π-π stacking between thiophene and phenyl rings on adjacent molecules with a distance between centroids of 3.79(2) Å. © 2009 Springer Science+Business Media, LLC.
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    Digital Object Identifier (doi)

    Author List

  • Lee YJ; King JR; Chenna BC; Owens SB; Freeman JL; Gray GM; Velu SE
  • Start Page

  • 902
  • End Page

  • 907
  • Volume

  • 39
  • Issue

  • 12