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Morpholine-4-nitro-phenol (1/2).

Srinivasan Muralidharan1, Yechuri Vidyalakshmi, Thothadri Srinivasan

  • 1Department of Physics, Anna University, Chennai 600 025, India.

Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
PubMed
Summary
This summary is machine-generated.

This study details the crystal structure of a nitro-phenol and morpholine adduct. The morpholine ring exhibits a chair conformation, with specific dihedral angles noted between the nitro-phenol rings and their nitro groups.

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Area of Science:

  • Crystallography
  • Molecular structure determination
  • Supramolecular chemistry

Background:

  • Understanding molecular interactions is crucial in chemistry.
  • Adduct formation provides insights into intermolecular forces.
  • Nitro-phenol and morpholine are relevant chemical entities.

Purpose of the Study:

  • To elucidate the crystal structure of the 2C6H5NO3·C4H9NO adduct.
  • To analyze the conformational preferences of the morpholine ring.
  • To investigate the intermolecular interactions stabilizing the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed.
  • Analysis of bond lengths, bond angles, and dihedral angles.
  • Identification and analysis of hydrogen bonding and C-H···O interactions.

Main Results:

  • The morpholine ring was found to adopt a chair conformation.
  • The dihedral angle between the nitro-phenol rings is 69.47°.
  • Nitro groups showed small dihedral angles (3.37° and 3.14°) relative to benzene rings.
  • Crystal structure is stabilized by N-H⋯O, O-H⋯N, O-H⋯O, and C-H⋯O interactions, forming a 3D network.

Conclusions:

  • The study provides a detailed structural characterization of the adduct.
  • The observed conformation and interactions highlight the importance of hydrogen bonding in crystal packing.
  • This work contributes to the understanding of supramolecular assembly in organic adducts.