2,6,6-Trimethyl-cyclo-hexene-1-carbaldehyde oxime

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• The synthesis and structural characterization of organic compounds are fundamental in chemistry.
• Understanding intermolecular and intramolecular interactions is crucial for predicting material properties.
• Oxime functionalities play a significant role in various chemical and biological systems.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(10)H(17)NO.
• To investigate the hydrogen bonding patterns and conformational aspects of the molecule.
• To detail the synthetic route involving beta-cyclocitral and hydroxylamine hydrochloride.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• The synthesis involved the reaction of beta-cyclocitral with hydroxylamine hydrochloride.
• Structural analysis included the identification of hydrogen bonding and conformational analysis.

Main Results:

• The crystal structure of C(10)H(17)NO was determined.
• Inversion-related molecules form R(2)(2)(6) loops through O-H⋯N hydrogen bonding between oxime groups.
• Intramolecular methyl C-H⋯N interactions stabilize the molecular conformation.
• The cyclohexene ring adopts a half-chair conformation.

Conclusions:

• The study successfully characterized the crystal structure of C(10)H(17)NO.
• The identified hydrogen bonding and conformational features provide insights into the molecule's stability.
• This work contributes to the understanding of oxime chemistry and crystal engineering.