Crystal structure of ammonium (3,5-dichlorophenoxy)acetate hemihydrate
In the structure of the title hydrated salt, NH4+·C8H5Cl2O3−·0.5H2O, 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)....
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2015-10-01
|
| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015016345 |
| _version_ | 1819290983531020288 |
|---|---|
| author | Graham Smith |
| author_facet | Graham Smith |
| author_sort | Graham Smith |
| collection | DOAJ |
| description | In the structure of the title hydrated salt, NH4+·C8H5Cl2O3−·0.5H2O, 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...Ocarboxylate 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)°. |
| first_indexed | 2024-12-24T03:31:25Z |
| format | Article |
| id | doaj.art-998d629255ea4bd987976ce18d5b6ab0 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-24T03:31:25Z |
| publishDate | 2015-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-998d629255ea4bd987976ce18d5b6ab02022-12-21T17:17:11ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-10-017110o717o71810.1107/S2056989015016345nk2232Crystal structure of ammonium (3,5-dichlorophenoxy)acetate hemihydrateGraham Smith0Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, AustraliaIn the structure of the title hydrated salt, NH4+·C8H5Cl2O3−·0.5H2O, 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...Ocarboxylate 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)°.http://scripts.iucr.org/cgi-bin/paper?S2056989015016345crystal structurephenoxyacetic acid herbicidestryptaminium salt(3,5-dichlorophenoxy)acetic acidhydrated salthydrogen bonding |
| spellingShingle | Graham Smith Crystal structure of ammonium (3,5-dichlorophenoxy)acetate hemihydrate Acta Crystallographica Section E: Crystallographic Communications crystal structure phenoxyacetic acid herbicides tryptaminium salt (3,5-dichlorophenoxy)acetic acid hydrated salt hydrogen bonding |
| title | Crystal structure of ammonium (3,5-dichlorophenoxy)acetate hemihydrate |
| title_full | Crystal structure of ammonium (3,5-dichlorophenoxy)acetate hemihydrate |
| title_fullStr | Crystal structure of ammonium (3,5-dichlorophenoxy)acetate hemihydrate |
| title_full_unstemmed | Crystal structure of ammonium (3,5-dichlorophenoxy)acetate hemihydrate |
| title_short | Crystal structure of ammonium (3,5-dichlorophenoxy)acetate hemihydrate |
| title_sort | crystal structure of ammonium 3 5 dichlorophenoxy acetate hemihydrate |
| topic | crystal structure phenoxyacetic acid herbicides tryptaminium salt (3,5-dichlorophenoxy)acetic acid hydrated salt hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015016345 |
| work_keys_str_mv | AT grahamsmith crystalstructureofammonium35dichlorophenoxyacetatehemihydrate |