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4-Meth-oxy-N-methyl-benzamide.

Juan Yuan1, Yan-Ju Liu

  • 1Pharmacy College, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|March 14, 2012
PubMed
Summary
This summary is machine-generated.

This study details the crystal structure of a novel organic compound, C(9)H(11)NO(2). Molecular analysis reveals specific dihedral angles and intermolecular interactions, including hydrogen bonds and C-H⋯π contacts, forming a 3D network.

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Area of Science:

  • Crystallography
  • Organic Chemistry
  • Materials Science

Background:

  • Understanding molecular interactions is crucial for designing new materials.
  • Crystal engineering relies on predicting and controlling intermolecular forces.

Purpose of the Study:

  • To elucidate the crystal structure of the compound C(9)H(11)NO(2).
  • To analyze the dihedral angle between the amide group and the benzene ring.
  • To investigate the intermolecular interactions and network formation in the crystal.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of bond lengths, bond angles, and dihedral angles.
  • Identification of hydrogen bonds (N-H⋯O), C-H⋯O contacts, and C-H⋯π interactions.

Main Results:

  • The dihedral angle between the amide group and the benzene ring was determined to be 10.6(1)°.
  • Molecules form chains along the b-axis through N-H⋯O hydrogen bonds and C-H⋯O contacts.
  • These chains assemble into a three-dimensional network via C-H⋯π interactions.

Conclusions:

  • The crystal structure of C(9)H(11)NO(2) is characterized by specific molecular conformation and extensive intermolecular interactions.
  • The identified hydrogen bonding and C-H⋯π interactions dictate the formation of a robust 3D supramolecular network.
  • This structural insight contributes to the understanding of crystal packing and intermolecular forces in organic compounds.