Synthesis, Characterization and Crystal Structure of 4-Dichloroacetyl-2,5-dimethyl-8-oxo-1,4-diazabicyclo[3.3.0]octane

Abstract

AJC-15143 4-Dichloroacetyl-2,5-dimethyl-8-oxo-1,4-diazabicyclo[3.3.0]octane was synthesized by cycloaddition and acylation reaction. The molecular structure was characterized by IR, NMR, MS, elemental analysis and further confirmed by X-ray diffraction analysis. The title compound, C10H14N2O2Cl2, crystallized in the monoclinic P21/c space group with unit cell parameters a = 10.286(2) Å, b = 11.513(2) Å, c = 12.234(5) Å, Z = 4, V = 1223.5(6) Å 3 , Dc = 1.439 g/cm 3 , F (000) = 552, R1 = 0.0405 and wR2 = 0.1020. In the crystal structure, the molecule was linked through intermolecular C(7)-H(7)...O(2) hydrogen bond forming a one dimension chain conformation.

Synthesis, Crystal Structure and Biological Activity of Novel N‐substituted Diazabicyclo Derivatives

“…In the same way, the safeners supposed to be the herbicide antidotes if the herbicides and the safeners are similar at the molecular level . As part of our ongoing work on nitrogen‐containing heterocyclic safeners , herein we designed a series of novel substituted diazabicyclo drivatives utilizing active substructure combination and similarity theory (Scheme ).…”