By: G Smith, EJ O"Reilly and CHL Kennard
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, α 102.76(3), β 91.33(3), γ 110.38(1), 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, β 96.497(7).
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)]. The MnII and CoII
complexes of dicamba [(2) and (3)] have been confirmed as isomorphous and
isostructural with the ZnII analogue
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, α 102.76(3), β 91.33(3), γ 110.38(1), 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, β 96.497(7).
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)]. The MnII and CoII
complexes of dicamba [(2) and (3)] have been confirmed as isomorphous and
isostructural with the ZnII analogueYangzhou pioneer chemical CO.,LTD
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