Limits...
Crystal structure of [butane-2,3-dione bis-(4-methyl-thio-semicarbazonato)-κ(4) S,N (1),N (1'),S'](pyridine-κN)zinc(II).

Brown OC, Tocher DA, Blower PJ, Went MJ - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In the structure of the title complex, [Zn(C8H14N6S2)(C5H5N)], the Zn(II) ion has a pseudo-square-pyramidal coordination environment and is displaced by 0.490 Å from the plane of best fit defined by the bis-(thio-semicarbazonate) N2S2 donor atoms.Chains sustained by intermolecular N-H⋯N and N-H⋯S hydrogen-bonding interactions extend parallel to [10-1].

View Article: PubMed Central - HTML - PubMed

Affiliation: University of Kent, School of Physical Sciences, Canterbury CT2 7NH, England.

ABSTRACT
In the structure of the title complex, [Zn(C8H14N6S2)(C5H5N)], the Zn(II) ion has a pseudo-square-pyramidal coordination environment and is displaced by 0.490 Å from the plane of best fit defined by the bis-(thio-semicarbazonate) N2S2 donor atoms. Chains sustained by intermolecular N-H⋯N and N-H⋯S hydrogen-bonding interactions extend parallel to [10-1].

No MeSH data available.


The mol­ecular structure of the title complex.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC4645023&req=5

fig1: The mol­ecular structure of the title complex.

Mentions: The molecular structure of [butane-2,3-dione bis­(4-methyl­thio­semicarbazonato)]pyridine­zinc is shown in Fig. 1 ▸. The ZnII ion lies in a pseudo-square-pyramidal coord­ination and is displaced by 0.490 Å from the plane of best fit defined by the bis­(thio­semicarbazonate) N2S2 donor atoms. In the related 4-(di­methyl­amino)­pyridine complex, the displace­ment is 0.517 Å (Betts et al., 2008 ▸). The Zn–pyridine bond is shorter [2.0900 (18) Å] than the other two bonds to atoms N3 and N4. It is apparent that the ligand cavity is too small to fit the ZnII ideally, resulting in an N—Zn—N angle of only 74.45 (7)° which may contribute to the ready transmetalations that result in CuII complexes with angles of approximately 80° (Blower et al., 2003 ▸). A comparison of the vibrational spectroscopy of poly(4-vinylpyridine), [butane-2,3-dione bis(4-methylthiosemicarbazonato)]zinc(II) and [butane-2,3-dione bis(4-methylthiosemicarbazonato)]zinc(II) on poly(4-vinylpyridine) can be found in the supporting information.


Crystal structure of [butane-2,3-dione bis-(4-methyl-thio-semicarbazonato)-κ(4) S,N (1),N (1'),S'](pyridine-κN)zinc(II).

Brown OC, Tocher DA, Blower PJ, Went MJ - Acta Crystallogr E Crystallogr Commun (2015)

The mol­ecular structure of the title complex.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645023&req=5

fig1: The mol­ecular structure of the title complex.
Mentions: The molecular structure of [butane-2,3-dione bis­(4-methyl­thio­semicarbazonato)]pyridine­zinc is shown in Fig. 1 ▸. The ZnII ion lies in a pseudo-square-pyramidal coord­ination and is displaced by 0.490 Å from the plane of best fit defined by the bis­(thio­semicarbazonate) N2S2 donor atoms. In the related 4-(di­methyl­amino)­pyridine complex, the displace­ment is 0.517 Å (Betts et al., 2008 ▸). The Zn–pyridine bond is shorter [2.0900 (18) Å] than the other two bonds to atoms N3 and N4. It is apparent that the ligand cavity is too small to fit the ZnII ideally, resulting in an N—Zn—N angle of only 74.45 (7)° which may contribute to the ready transmetalations that result in CuII complexes with angles of approximately 80° (Blower et al., 2003 ▸). A comparison of the vibrational spectroscopy of poly(4-vinylpyridine), [butane-2,3-dione bis(4-methylthiosemicarbazonato)]zinc(II) and [butane-2,3-dione bis(4-methylthiosemicarbazonato)]zinc(II) on poly(4-vinylpyridine) can be found in the supporting information.

Bottom Line: In the structure of the title complex, [Zn(C8H14N6S2)(C5H5N)], the Zn(II) ion has a pseudo-square-pyramidal coordination environment and is displaced by 0.490 Å from the plane of best fit defined by the bis-(thio-semicarbazonate) N2S2 donor atoms.Chains sustained by intermolecular N-H⋯N and N-H⋯S hydrogen-bonding interactions extend parallel to [10-1].

View Article: PubMed Central - HTML - PubMed

Affiliation: University of Kent, School of Physical Sciences, Canterbury CT2 7NH, England.

ABSTRACT
In the structure of the title complex, [Zn(C8H14N6S2)(C5H5N)], the Zn(II) ion has a pseudo-square-pyramidal coordination environment and is displaced by 0.490 Å from the plane of best fit defined by the bis-(thio-semicarbazonate) N2S2 donor atoms. Chains sustained by intermolecular N-H⋯N and N-H⋯S hydrogen-bonding interactions extend parallel to [10-1].

No MeSH data available.