
TY  - JOUR
A1  - Smith, G 
A1  - O'Reilly, EJ 
A1  - Kennard, CHL 
T1  - Metal complexes of dicamba: the crystal and molecular structures of dicamba(3,6-Dichloro-2-methoxybenzoic acid) and <I>catena</I>-&#956;-Aqua-diaquabis(3,6-dichloro-2-methoxybenzoato)zinc(II) dihydrate
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1983
VL  - 36
IS  - 11
SP  - 2175
EP  - 2183
KW  - 
UR  - https://doi.org/10.1071/CH9832175 
N2  - The crystal structures of the herbicide, dicamba (3,6-dichloro-2-methoxybenzoic acid) and the zinc(II) complex of this acid, {[Zn(dicamba)2(H2O)3].2H2O}}n (1), have been determined from X-ray diffraction data and refined by least squares to final residuals of 0.034 and 0.043 respectively. Dicamba is triclinic, space group P1, Z 2 with a cell a 7.232(1), b 7.971(1), c 9.050(3) Å, &#945; 102.76(3), &#946; 91.33(3), &#947; 110.38(1)º, while (1) is monoclinic, space group P21/n, Z 4 with a cell a 10.467(1), b 8.135(3), c 28.079(2) Å, &#946; 96.497(7)º. Dicamba forms hydrogen-bonded cyclic dimers [O---O, 2.655(7) Å] with the carboxyl and the methoxy groups synclinal to the benzene ring. The dicamba ligands retain their conformation in the ZnII complex and are cis-related and unidentate [Zn-0,2.083,2.095(4) Å]. Three of the waters are coordinated [Zn-0, 2.036, 2.055, 2.099(4) Å] with one of these also acting as a bridging ligand between the octahedral zinc centres [Zn-0, 2.326(4) Å], giving a 'linear' polymer structure [Zn-0-Zn bridge angle, 133.6(3)º]. The MnII and CoII complexes of dicamba [(2) and (3)] have been confirmed as isomorphous and isostructural with the ZnII analogue. 
ER  -

