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1,3-Bis(thio-phen-2-ylmeth-yl)-3,4,5,6-tetra-hydro-pyrimidinium trichlorido(η-p-cymene)ruthenate(II).

Arslan H, Vanderveer D, Ozdemir I, Gürbüz N, Gök Y, Cetinkaya B - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The N-C bond lengths of the N-C-N unit of the pyrimidinium cation are shorter than the average single C-N bond length of 1.48 Å, thus showing double-bond character, indicating a partial electron delocalization within the N-C-N fragment.The pyrimidine ring has an envelope conformation.Four inter-molecular C-H⋯Cl hydrogen bonds generate a three-dimensional hydrogen-bonded framework.

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ABSTRACT
The asymmetric unit of the title compound, (C(14)H(17)N(2)S(2))[Ru(C(10)H(14))Cl(3)], contains a 1,3-bis-(thio-phen-2-ylmeth-yl)-3,4,5,6-tetra-hydro-pyrimidinium cation and a trichlorido(η(6)-p-cymene)ruthenate(II) anion. The Ru atom exhibits a distorted octa-hedral coordination with the benzene ring of the p-cymene ligand formally occupying three sites and three chloride atoms occupying the other three sites. The N-C bond lengths of the N-C-N unit of the pyrimidinium cation are shorter than the average single C-N bond length of 1.48 Å, thus showing double-bond character, indicating a partial electron delocalization within the N-C-N fragment. The pyrimidine ring has an envelope conformation. Four inter-molecular C-H⋯Cl hydrogen bonds generate a three-dimensional hydrogen-bonded framework.

No MeSH data available.


The molecular structure of the title compound, showing the atom-numbering scheme and displacement ellipsoids drawn at the 50% probability level.
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Fap1: The molecular structure of the title compound, showing the atom-numbering scheme and displacement ellipsoids drawn at the 50% probability level.


1,3-Bis(thio-phen-2-ylmeth-yl)-3,4,5,6-tetra-hydro-pyrimidinium trichlorido(η-p-cymene)ruthenate(II).

Arslan H, Vanderveer D, Ozdemir I, Gürbüz N, Gök Y, Cetinkaya B - Acta Crystallogr Sect E Struct Rep Online (2008)

The molecular structure of the title compound, showing the atom-numbering scheme and displacement ellipsoids drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2968014&req=5

Fap1: The molecular structure of the title compound, showing the atom-numbering scheme and displacement ellipsoids drawn at the 50% probability level.
Bottom Line: The N-C bond lengths of the N-C-N unit of the pyrimidinium cation are shorter than the average single C-N bond length of 1.48 Å, thus showing double-bond character, indicating a partial electron delocalization within the N-C-N fragment.The pyrimidine ring has an envelope conformation.Four inter-molecular C-H⋯Cl hydrogen bonds generate a three-dimensional hydrogen-bonded framework.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title compound, (C(14)H(17)N(2)S(2))[Ru(C(10)H(14))Cl(3)], contains a 1,3-bis-(thio-phen-2-ylmeth-yl)-3,4,5,6-tetra-hydro-pyrimidinium cation and a trichlorido(η(6)-p-cymene)ruthenate(II) anion. The Ru atom exhibits a distorted octa-hedral coordination with the benzene ring of the p-cymene ligand formally occupying three sites and three chloride atoms occupying the other three sites. The N-C bond lengths of the N-C-N unit of the pyrimidinium cation are shorter than the average single C-N bond length of 1.48 Å, thus showing double-bond character, indicating a partial electron delocalization within the N-C-N fragment. The pyrimidine ring has an envelope conformation. Four inter-molecular C-H⋯Cl hydrogen bonds generate a three-dimensional hydrogen-bonded framework.

No MeSH data available.