N-(2-Chloro-eth-yl)morpholine-4-carbox-amide

Area of Science:

• Organic Chemistry
• Crystallography
• Chemical Synthesis

Background:

• The synthesis and structural characterization of novel organic compounds are fundamental to advancing chemical knowledge.
• Morpholine derivatives are important in various chemical and pharmaceutical applications.
• Understanding crystal packing and intermolecular interactions is crucial for predicting material properties.

Purpose of the Study:

• To elucidate the crystal structure of the compound formed by the reaction of 2-chloro-ethyl iso-cyanate and morpholine.
• To analyze the molecular conformation and identify any structural disorder.
• To investigate the hydrogen bonding network within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• The crystal structure was solved and refined using standard crystallographic software.
• Conformational analysis and hydrogen bond analysis were performed on the determined structure.

Main Results:

• The title compound, C7H13ClN2O2, crystallizes with four molecules in the asymmetric unit.
• Two of the molecules exhibit orientational disorder in the 2-chloro-ethyl fragment.
• Infinite hydrogen-bonded chains of three crystallographically distinct types were observed, extending along the [001] direction.

Conclusions:

• The crystal structure provides detailed insights into the solid-state arrangement of this morpholine derivative.
• The observed hydrogen bonding significantly influences the crystal packing and chain formation.
• This structural information can serve as a basis for further studies on related compounds and their properties.