2,6-Dimethyl-N-(2-methyl-phen-yl)-1,3-dioxan-4-amine

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding molecular interactions is crucial in chemistry.
• Crystal engineering relies on predicting and controlling intermolecular forces.
• The specific compound C13H19NO2's properties are explored.

Purpose of the Study:

• To elucidate the crystal structure of C13H19NO2.
• To analyze the conformation of the dioxane ring.
• To identify and describe intermolecular interactions, including hydrogen bonding.

Main Methods:

• Single-crystal X-ray diffraction was employed.
• Analysis of the molecular geometry and conformation.
• Identification of hydrogen bond networks and their topological classification.

Main Results:

• The dioxane ring adopts a chair conformation.
• A dihedral angle of 45.36(8)° exists between the dioxane and phenyl rings.
• N-H⋯O and C-H⋯O hydrogen bonds form R2(12) and R2(8) ring motifs, respectively, creating dimers and stabilizing the crystal structure.

Conclusions:

• The crystal packing of C13H19NO2 is governed by specific hydrogen bonding interactions.
• The observed conformation and bonding patterns provide insights into the solid-state behavior of this compound.
• This structural information can be valuable for further chemical studies and applications.