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The pseudosymmetric structure of bis-(pentane-1,5-diaminium) iodide tris-(triiodide).

van Megen M, Reiss GJ - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The compound crystallizes in the centrosymmetric monoclinic space group P2/n.The structure refinement was handicapped by the pseudosymmetry (pseudo-centering) of the structure and by twinning.The crystal structure is composed of two alternate layers, which differ in their arrangement of the pentane-1,5-diaminium dications and the iodide/triiodide anions and which are connected via weak to medium-strong N-H⋯I hydrogen bonds, constructing a complex hydrogen-bonded network.

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Affiliation: Institut für Anorganische Chemie und Strukturchemie, Lehrstuhl II: Material- und Strukturforschung, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany.

ABSTRACT
The asymmetric unit of the title compound, [H(3)N(CH(2))(5)NH(3)](2)I[I(3)](3) or 2C(5)H(16)N(2) (2+)·3I(3) (-)·I(-), consists of two crystallographically independent pentane-1,5-diaminium dications and two triiodide anions in general positions besides two additional triiodide and two iodide anions located on twofold axes. The compound crystallizes in the centrosymmetric monoclinic space group P2/n. The structure refinement was handicapped by the pseudosymmetry (pseudo-centering) of the structure and by twinning. The crystal structure is composed of two alternate layers, which differ in their arrangement of the pentane-1,5-diaminium dications and the iodide/triiodide anions and which are connected via weak to medium-strong N-H⋯I hydrogen bonds, constructing a complex hydrogen-bonded network.

No MeSH data available.


: Showing the basic structural motif of the A layer (symmetry code: ' = 0.5 - x, y, 0.5 - z, displacement ellipsoids are drawn at the 70% probability level; hydrogen atoms are drawn as spheres with arbitrary radii; only classical hydrogen bonds are shown).
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Fap2: : Showing the basic structural motif of the A layer (symmetry code: ' = 0.5 - x, y, 0.5 - z, displacement ellipsoids are drawn at the 70% probability level; hydrogen atoms are drawn as spheres with arbitrary radii; only classical hydrogen bonds are shown).


The pseudosymmetric structure of bis-(pentane-1,5-diaminium) iodide tris-(triiodide).

van Megen M, Reiss GJ - Acta Crystallogr Sect E Struct Rep Online (2012)

: Showing the basic structural motif of the A layer (symmetry code: ' = 0.5 - x, y, 0.5 - z, displacement ellipsoids are drawn at the 70% probability level; hydrogen atoms are drawn as spheres with arbitrary radii; only classical hydrogen bonds are shown).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344470&req=5

Fap2: : Showing the basic structural motif of the A layer (symmetry code: ' = 0.5 - x, y, 0.5 - z, displacement ellipsoids are drawn at the 70% probability level; hydrogen atoms are drawn as spheres with arbitrary radii; only classical hydrogen bonds are shown).
Bottom Line: The compound crystallizes in the centrosymmetric monoclinic space group P2/n.The structure refinement was handicapped by the pseudosymmetry (pseudo-centering) of the structure and by twinning.The crystal structure is composed of two alternate layers, which differ in their arrangement of the pentane-1,5-diaminium dications and the iodide/triiodide anions and which are connected via weak to medium-strong N-H⋯I hydrogen bonds, constructing a complex hydrogen-bonded network.

View Article: PubMed Central - HTML - PubMed

Affiliation: Institut für Anorganische Chemie und Strukturchemie, Lehrstuhl II: Material- und Strukturforschung, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany.

ABSTRACT
The asymmetric unit of the title compound, [H(3)N(CH(2))(5)NH(3)](2)I[I(3)](3) or 2C(5)H(16)N(2) (2+)·3I(3) (-)·I(-), consists of two crystallographically independent pentane-1,5-diaminium dications and two triiodide anions in general positions besides two additional triiodide and two iodide anions located on twofold axes. The compound crystallizes in the centrosymmetric monoclinic space group P2/n. The structure refinement was handicapped by the pseudosymmetry (pseudo-centering) of the structure and by twinning. The crystal structure is composed of two alternate layers, which differ in their arrangement of the pentane-1,5-diaminium dications and the iodide/triiodide anions and which are connected via weak to medium-strong N-H⋯I hydrogen bonds, constructing a complex hydrogen-bonded network.

No MeSH data available.