Chemical & Chemistry
January 16, 2009

STRUCTURAL CHEMISTRY;
Studies from A.A. Karapetyan and colleagues reveal new findings on
structural chemistry

"Addition of trichloroacetonitrile to 2,5-dimethyl-1,5-hexadiene in
the presence of cuprous amine complexes is studied. Single crystal
X-ray diffraction unambiguously proves that the main product is a
racemic mixture of the cyclic symmetric nitrile: (1r,3R,6S)- and
(1r,3S,6R)-1,3,6-trichloro-3,6-dimethylcyclohe ptanecarbonitrile,"
scientists in Yerevan, Armenia report.

"Established relative configuration of the product confirms the ring
closure mechanism suggested before. Also, a side product
2,5-dimethyl-2,5-dichlorohexane is isolated (the product of
hydrochlorination of the starting alkadiene)," wrote A.A. Karapetyan
and colleagues.

The researchers concluded: "Low-temperature (190 K) structural
examination of this centrosymmetrical molecule indicates that the unit
cell comprises one molecule."

Karapetyan and colleagues published their study in the Journal of
Structural Chemistry (X-RAY STRUCTURAL INVESTIGATION OF
1,3,6-TRICHLORO-3,6-DIMETHYLCYCLOHEPTANECARBONI TRILE AND
2,5-DIMETHYL-2,5-DICHLOROHEXANE – PRODUCTS OF THE REACTION OF
2,5-DIMETHYL-1,5-HEXADIENE WITH TRICHLOROACETONITRILE. Journal of
Structural Chemistry, 2008;49(5):965-968).

For more information, contact A.A. Karapetyan, NAS Armenia, Center
Organ & Pharmaceutical Chemical, Molecular Structural Research Center
Science Technology, Yerevan, Armenia.

Publisher contact information for the Journal of Structural Chemistry
is: Springer, 233 Spring St., New York, NY 10013, USA.