Limits...
Crystal structure of catena-poly[[potassium-tri-μ-di-methyl-acetamide-κ(6) O:O] iodide].

Comanescu CC, Oliver AG - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: Two crystallographically independent K(+) cations are present in the asymmetric unit located on threefold rotoinversion axes at [0, 0, 0] and [0, 0, 1/2] and are bridged by the O atoms of the acetamide moiety.This is an example of a rare μ2-bridging mode for di-methyl-acetamide O atoms.The iodide counter-ion resides on a threefold rotation axis in the channel formed by the [K(C4H9NO)](+) chains.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556-5670, USA.

ABSTRACT
The structure of catena-poly[[potassium-tri-μ-di-methyl-acetamide-κ(6) O:O] iodide], {[K(C4H9NO)3]I} n , at 120 K has trigonal (P-3) symmetry. The structure adopts a linear chain motif parallel to the crystallographic c axis. Two crystallographically independent K(+) cations are present in the asymmetric unit located on threefold rotoinversion axes at [0, 0, 0] and [0, 0, 1/2] and are bridged by the O atoms of the acetamide moiety. This is an example of a rare μ2-bridging mode for di-methyl-acetamide O atoms. The iodide counter-ion resides on a threefold rotation axis in the channel formed by the [K(C4H9NO)](+) chains.

No MeSH data available.


The atom-labeling scheme for KI·3DMA, with displacement ellipsoids depicted at the 50% probability level. [Symmetry codes: (i) −x, −y, −z; (ii) y, −x + y, −z; (iii) −y, x − y, z; (iv) x − y, x, −z; (v) −x + y, −x, z; (vi) x, y, z − 1.]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC4257214&req=5

fig1: The atom-labeling scheme for KI·3DMA, with displacement ellipsoids depicted at the 50% probability level. [Symmetry codes: (i) −x, −y, −z; (ii) y, −x + y, −z; (iii) −y, x − y, z; (iv) x − y, x, −z; (v) −x + y, −x, z; (vi) x, y, z − 1.]

Mentions: The cation of title compound consists of two crystallographically independent potassium cations. Each K+ cation is octa­hedrally coordinated by six O atoms from the DMA moieties, with each oxygen adopting a μ2-bridging mode (Fig. 1 ▶ and Table 1 ▶). The C=O distance is comparable with that in free di­methyl­acetamide (see Database survey). The iodide anion is independent of the one-dimensional chain and does not form any covalent contacts to the cation.


Crystal structure of catena-poly[[potassium-tri-μ-di-methyl-acetamide-κ(6) O:O] iodide].

Comanescu CC, Oliver AG - Acta Crystallogr Sect E Struct Rep Online (2014)

The atom-labeling scheme for KI·3DMA, with displacement ellipsoids depicted at the 50% probability level. [Symmetry codes: (i) −x, −y, −z; (ii) y, −x + y, −z; (iii) −y, x − y, z; (iv) x − y, x, −z; (v) −x + y, −x, z; (vi) x, y, z − 1.]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257214&req=5

fig1: The atom-labeling scheme for KI·3DMA, with displacement ellipsoids depicted at the 50% probability level. [Symmetry codes: (i) −x, −y, −z; (ii) y, −x + y, −z; (iii) −y, x − y, z; (iv) x − y, x, −z; (v) −x + y, −x, z; (vi) x, y, z − 1.]
Mentions: The cation of title compound consists of two crystallographically independent potassium cations. Each K+ cation is octa­hedrally coordinated by six O atoms from the DMA moieties, with each oxygen adopting a μ2-bridging mode (Fig. 1 ▶ and Table 1 ▶). The C=O distance is comparable with that in free di­methyl­acetamide (see Database survey). The iodide anion is independent of the one-dimensional chain and does not form any covalent contacts to the cation.

Bottom Line: Two crystallographically independent K(+) cations are present in the asymmetric unit located on threefold rotoinversion axes at [0, 0, 0] and [0, 0, 1/2] and are bridged by the O atoms of the acetamide moiety.This is an example of a rare μ2-bridging mode for di-methyl-acetamide O atoms.The iodide counter-ion resides on a threefold rotation axis in the channel formed by the [K(C4H9NO)](+) chains.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556-5670, USA.

ABSTRACT
The structure of catena-poly[[potassium-tri-μ-di-methyl-acetamide-κ(6) O:O] iodide], {[K(C4H9NO)3]I} n , at 120 K has trigonal (P-3) symmetry. The structure adopts a linear chain motif parallel to the crystallographic c axis. Two crystallographically independent K(+) cations are present in the asymmetric unit located on threefold rotoinversion axes at [0, 0, 0] and [0, 0, 1/2] and are bridged by the O atoms of the acetamide moiety. This is an example of a rare μ2-bridging mode for di-methyl-acetamide O atoms. The iodide counter-ion resides on a threefold rotation axis in the channel formed by the [K(C4H9NO)](+) chains.

No MeSH data available.