2-Amino-5-chloro-1,3-benzoxazol-3-ium 2-(3,4-dichlorophenoxy)acetate.
The 1:1 organic salt of the title compound, C(7)H(6)ClN(2)O(+). C(8)H(5)Cl(2)O(3)(-) or [(2-ABOX)(3,4-D)], comprises the two constituent molecules associated by an R(2)(2)(8) graph-set interaction through the carboxylate group of 3,4-D across the protonated N/N sites of 2-ABOX [N.O 2.546 (3) and 2.795 (3) A]. Cation/anion pairs associate across an inversion centre forming discrete tetramers via an additional three-centre hydrogen-bonding association from the latter N amino proton to a phenoxy O atom [N.O 3.176 (3) A] and a carboxylate O atom [N.O 2.841 (3) A]. This formation differs from the polymeric hydrogen-bonded chains previously observed for adduct structures of 2-ABOX with carboxylic acids.
Lynch
D E
DE
School of Natural and Environmental Sciences, Coventry University, Coventry CV1 5FB, England. apx106@coventry.ac.uk
Daly
D
D
Parsons
S
S
D000085:Acetates / Q000737:chemistry*; D002733:Chlorophenols; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D009125:Muscle Relaxants, Central / Q000737:chemistry*; D010642:Phenoxyacetates; D014528:Uricosuric Agents / Q000737:chemistry*; D015049:Zoxazolamine / Q000737:chemistry*
D000085:Acetates; D002733:Chlorophenols; D009125:Muscle Relaxants, Central; D010642:Phenoxyacetates; D014528:Uricosuric Agents; C420703:3,4-dichlorophenoxyacetic acid; D015049:Zoxazolamine