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(2Z,2'Z,4E,4'E)-4,4'-(Cyclo-hexane-1,2-diyldinitrilo)dipent-2-en-2-ol.

Li XZ, Qu ZR - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The six-membered cyclo-hexane ring is in a chair conformation, and the substituents are equatorial in the most stable conformation (trans-cyclo-hexyl).With H atoms excluded, the atoms of each substituent lie in the same plane.Two intra-molecular O-H⋯N hydrogen bonds exist in each mol-ecule.

View Article: PubMed Central - HTML - PubMed

Affiliation: Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

ABSTRACT
A new tetra-dentate chiral Schiff base ligand, C(16)H(26)N(2)O(2), has been synthesized by the reaction of acetyl-acetone with (1R,2R)-(-)-1,2-diamino-cyclo-hexane. Both of the mol-ecules in the asymmetric unit are of the same chirality (R configuration), since the absolute configuration was determined by the starting reagent (1R,2R)-(-)-1,2-diamino-cyclo-hexane. The six-membered cyclo-hexane ring is in a chair conformation, and the substituents are equatorial in the most stable conformation (trans-cyclo-hexyl). At the ring substituents, large conjugated -C=N-CH=C-OH systems exist, resulting from the original ketone converted into the enol form. With H atoms excluded, the atoms of each substituent lie in the same plane. The two mol-ecules in the asymmetric unit have almost the same structure, with slight differences in the torsion angles between the substituents and the cyclo-hexane ring; the corresponding N(1)-(C-C-C)(cyclo-hexa-ne) torsion angles are -177.2 (3) and 179.3 (4)° in one mol-ecule and -176.5 (3) and 178.4 (4)° in the other. Two intra-molecular O-H⋯N hydrogen bonds exist in each mol-ecule.

No MeSH data available.


Related in: MedlinePlus

A view of the compound with the atomic numbering scheme. Displacement ellipsoids were drawn at the 30% probability level.
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Fap1: A view of the compound with the atomic numbering scheme. Displacement ellipsoids were drawn at the 30% probability level.


(2Z,2'Z,4E,4'E)-4,4'-(Cyclo-hexane-1,2-diyldinitrilo)dipent-2-en-2-ol.

Li XZ, Qu ZR - Acta Crystallogr Sect E Struct Rep Online (2008)

A view of the compound with the atomic numbering scheme. Displacement ellipsoids were drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961254&req=5

Fap1: A view of the compound with the atomic numbering scheme. Displacement ellipsoids were drawn at the 30% probability level.
Bottom Line: The six-membered cyclo-hexane ring is in a chair conformation, and the substituents are equatorial in the most stable conformation (trans-cyclo-hexyl).With H atoms excluded, the atoms of each substituent lie in the same plane.Two intra-molecular O-H⋯N hydrogen bonds exist in each mol-ecule.

View Article: PubMed Central - HTML - PubMed

Affiliation: Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

ABSTRACT
A new tetra-dentate chiral Schiff base ligand, C(16)H(26)N(2)O(2), has been synthesized by the reaction of acetyl-acetone with (1R,2R)-(-)-1,2-diamino-cyclo-hexane. Both of the mol-ecules in the asymmetric unit are of the same chirality (R configuration), since the absolute configuration was determined by the starting reagent (1R,2R)-(-)-1,2-diamino-cyclo-hexane. The six-membered cyclo-hexane ring is in a chair conformation, and the substituents are equatorial in the most stable conformation (trans-cyclo-hexyl). At the ring substituents, large conjugated -C=N-CH=C-OH systems exist, resulting from the original ketone converted into the enol form. With H atoms excluded, the atoms of each substituent lie in the same plane. The two mol-ecules in the asymmetric unit have almost the same structure, with slight differences in the torsion angles between the substituents and the cyclo-hexane ring; the corresponding N(1)-(C-C-C)(cyclo-hexa-ne) torsion angles are -177.2 (3) and 179.3 (4)° in one mol-ecule and -176.5 (3) and 178.4 (4)° in the other. Two intra-molecular O-H⋯N hydrogen bonds exist in each mol-ecule.

No MeSH data available.


Related in: MedlinePlus