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Crystal structure of ammonium (3,5-di-chloro-phen-oxy)acetate hemihydrate.

ABSTRACT: In the structure of the title hydrated salt, NH4 (+)·C8H5Cl2O3 (-)·0.5H2O, where the anion derives from (3,5-di-chloro-phen-oxy)acetic acid, the ammonium cation is involved in extensive N-H?O hydrogen bonding with both carboxyl-ate and ether O-atom acceptors giving sheet structures lying parallel to (100). The water mol-ecule of solvation lies on a crystallographic twofold rotation axis and is involved in intra-sheet O-H?Ocarboxyl-ate hydrogen-bonding inter-actions. In the anion, the oxoacetate side chain assumes an antiperiplanar conformation with the defining C-O-C-C torsion angle = -171.33?(15)°.

SUBMITTER: Smith G

PROVIDER: S-EPMC4647378 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of ammonium (3,5-di-chloro-phen-oxy)acetate hemihydrate.

Smith Graham G

Acta crystallographica. Section E, Crystallographic communications 20150912 Pt 10

In the structure of the title hydrated salt, NH4 (+)·C8H5Cl2O3 (-)·0.5H2O, where the anion derives from (3,5-di-chloro-phen-oxy)acetic acid, the ammonium cation is involved in extensive N-H⋯O hydrogen bonding with both carboxyl-ate and ether O-atom acceptors giving sheet structures lying parallel to (100). The water mol-ecule of solvation lies on a crystallographic twofold rotation axis and is involved in intra-sheet O-H⋯Ocarboxyl-ate hydrogen-bonding inter-actions. In the anion, the oxoacetate ...[more]

PMID: 26594440

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