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Crystal structure of the cage derivative penta-cyclo-[5.4.0.0(2,6).0(3,10).0(5,9)]undeca-8,11-dione ethyl-ene di-thio-ketal.

Kotha S, Sreenivasachary N, Deodhar D, Shaikh M - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The title penta-cyclo-undecane cage derivative, C13H14OS2, was identified during a thio-ketalization reaction.The reaction selectively gave the title compound and the product corresponding to bis-ketal was not formed.The title compound exhibits unusual Csp (3)-Csp (3) single bond lengths ranging from 1.495 (3) to 1.581 (2) and strained bond angles as small as 89.29 (12) and as large as 115.11 (11)°.

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Affiliation: Department of Chemistry, Indian Institute of Technology - Bombay, Powai, Mumbai 400 076, India.

ABSTRACT
The title penta-cyclo-undecane cage derivative, C13H14OS2, was identified during a thio-ketalization reaction. The reaction selectively gave the title compound and the product corresponding to bis-ketal was not formed. The title compound exhibits unusual Csp (3)-Csp (3) single bond lengths ranging from 1.495 (3) to 1.581 (2) and strained bond angles as small as 89.29 (12) and as large as 115.11 (11)°.

No MeSH data available.


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ORTEP diagrams of (2) showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
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fig1: ORTEP diagrams of (2) showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.

Mentions: In contribution to the ongoing research in the versatile area of pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione (PCUD) cage compounds, we report the crystal structure of an unsymmetrically substituted di­thio­ketal derivative (2). The dione (1) was treated with 1,2-ethane­dithiol using benzene as a solvent under reflux temperature. The reaction selectively gave (2), a mono-substituted product rather than the symmetrically di-substituted product or rearranged product (Fig. 1 ▶). The title compound (2) is known (Saures et al., 1983 ▶; Mlinarić-Majerski et al., 1998 ▶) but its crystal structure has not been reported to date.


Crystal structure of the cage derivative penta-cyclo-[5.4.0.0(2,6).0(3,10).0(5,9)]undeca-8,11-dione ethyl-ene di-thio-ketal.

Kotha S, Sreenivasachary N, Deodhar D, Shaikh M - Acta Crystallogr Sect E Struct Rep Online (2014)

ORTEP diagrams of (2) showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257192&req=5

fig1: ORTEP diagrams of (2) showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Mentions: In contribution to the ongoing research in the versatile area of pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione (PCUD) cage compounds, we report the crystal structure of an unsymmetrically substituted di­thio­ketal derivative (2). The dione (1) was treated with 1,2-ethane­dithiol using benzene as a solvent under reflux temperature. The reaction selectively gave (2), a mono-substituted product rather than the symmetrically di-substituted product or rearranged product (Fig. 1 ▶). The title compound (2) is known (Saures et al., 1983 ▶; Mlinarić-Majerski et al., 1998 ▶) but its crystal structure has not been reported to date.

Bottom Line: The title penta-cyclo-undecane cage derivative, C13H14OS2, was identified during a thio-ketalization reaction.The reaction selectively gave the title compound and the product corresponding to bis-ketal was not formed.The title compound exhibits unusual Csp (3)-Csp (3) single bond lengths ranging from 1.495 (3) to 1.581 (2) and strained bond angles as small as 89.29 (12) and as large as 115.11 (11)°.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Indian Institute of Technology - Bombay, Powai, Mumbai 400 076, India.

ABSTRACT
The title penta-cyclo-undecane cage derivative, C13H14OS2, was identified during a thio-ketalization reaction. The reaction selectively gave the title compound and the product corresponding to bis-ketal was not formed. The title compound exhibits unusual Csp (3)-Csp (3) single bond lengths ranging from 1.495 (3) to 1.581 (2) and strained bond angles as small as 89.29 (12) and as large as 115.11 (11)°.

No MeSH data available.


Related in: MedlinePlus