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trans-1,2-Dimethyl­cyclo­hexa­ne

✍ Scribed by Bream, Richard ;Watkin, David ;Cowley, Andrew

Publisher
International Union of Crystallography
Year
2006
Tongue
English
Weight
354 KB
Volume
62
Category
Article
ISSN
1600-5368

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The title compound, C 22 H 26 N 2 O 4 , was prepared by reaction of trans-1,2-cyclohexanediamine and 2-hydroxy-3-methoxybenzaldehyde. The molecular structure is stabilized by intramolecular O-HÁ Á ÁN hydrogen bonds.

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In the title compound, [Fe(C 5 H 5 )(C 20 H 23 )], the two fivemembered cyclopentadienyl rings are nearly parallel, with a dihedral angle of only 3.8 (1) . The dihedral angle between the indenyl plane and the substituted cyclopentadienyl ring is 58.1 (2) .

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The gauche interaction in trans-1,2-dime
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The gauche interaction in the diequatorial conformation of trans-1,2-dimethylcyclohexane is found to be 0.74CO.09 kcal/mol (3.10+0.38 kJ/mol).