Acta Crystallographica, Section C: Crystal Structure Communications 2000-12-01

2-Amino-5-chloro-1,3-benzoxazol-3-ium 2-(3,4-dichlorophenoxy)acetate.

D E Lynch, D Daly, S Parsons

Index: Acta Crystallogr. C 56(Pt 12) , 1478-9, (2000)

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Abstract

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.

Related Compounds

  • 3,4-DA
  • Zoxazolamine

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