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Crystal structure of ammonium (3,5-dichlorophenoxy)acetate hemihydrate
In the structure of the title hydrated salt, NH(4) (+)·C(8)H(5)Cl(2)O(3) (−)·0.5H(2)O, where the anion derives from (3,5-dichlorophenoxy)acetic acid, the ammonium cation is involved in extensive N—H⋯O hydrogen bonding with both carboxylate and ether O-atom acceptors giving sheet structures lying...
Autor principal: | |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647378/ https://www.ncbi.nlm.nih.gov/pubmed/26594440 http://dx.doi.org/10.1107/S2056989015016345 |
Sumario: | In the structure of the title hydrated salt, NH(4) (+)·C(8)H(5)Cl(2)O(3) (−)·0.5H(2)O, where the anion derives from (3,5-dichlorophenoxy)acetic acid, the ammonium cation is involved in extensive N—H⋯O hydrogen bonding with both carboxylate and ether O-atom acceptors giving sheet structures lying parallel to (100). The water molecule of solvation lies on a crystallographic twofold rotation axis and is involved in intra-sheet O—H⋯O(carboxylate) hydrogen-bonding interactions. In the anion, the oxoacetate side chain assumes an antiperiplanar conformation with the defining C—O—C—C torsion angle = −171.33 (15)°. |
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