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N-Phenyl-morpholine-4-carboxamide.

Shuang-Ming Meng1, Ke-Wei Wang, Hai Xie

  • 1College of Chemistry and Chemical Engineering, Shanxi Datong University, Datong 037009, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|April 28, 2011
PubMed
Summary
This summary is machine-generated.

This study details the crystal structure of a novel organic compound, C(11)H(14)N(2)O(2). Molecular analysis reveals specific geometric arrangements and hydrogen bonding critical for its crystalline structure.

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Area of Science:

  • Crystallography
  • Organic Chemistry
  • Molecular Structure Analysis

Background:

  • Understanding the precise three-dimensional arrangement of atoms in organic molecules is fundamental to predicting their properties and reactivity.
  • The morpholine moiety is a common heterocyclic scaffold found in many biologically active compounds.
  • Urea derivatives are known for their diverse applications, including pharmaceuticals and materials science.

Purpose of the Study:

  • To elucidate the detailed crystal structure of the title compound, C(11)H(14)N(2)O(2).
  • To analyze the spatial relationship between the urea-type moiety and the phenyl ring.
  • To investigate the intermolecular interactions governing the crystal packing.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Geometric parameters, including bond lengths, bond angles, and dihedral angles, were precisely measured.
  • Analysis of intermolecular interactions, specifically hydrogen bonding, was performed.

Main Results:

  • The title compound C(11)H(14)N(2)O(2) was characterized by its specific molecular geometry.
  • The urea-type NC=ON group exhibits near planarity, with a defined inclination angle of 42.88 degrees relative to the phenyl ring.
  • The morpholine ring adopts a chair conformation, and molecules are linked into infinite chains via N-H⋯O hydrogen bonds in the [001] direction.

Conclusions:

  • The crystal structure of C(11)H(14)N(2)O(2) reveals a unique arrangement of its functional groups.
  • The observed hydrogen bonding pattern dictates the formation of one-dimensional supramolecular chains.
  • This structural information provides a basis for understanding the compound's physical properties and potential applications.