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1H-Indole-3-carbaldehyde.

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Acta Crystallographica. Section E, Structure Reports Online
|January 4, 2013
PubMed
Summary

This study details the crystal structure of C(9)H(7)NO, revealing a slight twist between its benzene and pyrrole rings. Molecules self-assemble into chains via hydrogen bonds in the solid state.

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Area of Science:

  • Organic Chemistry
  • Crystallography
  • Molecular Structure

Background:

  • Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
  • Crystal structure analysis provides precise details about molecular geometry and intermolecular interactions.

Purpose of the Study:

  • To elucidate the crystal structure of the organic compound C(9)H(7)NO.
  • To characterize the dihedral angle between the benzene and pyrrole rings.
  • To identify and describe the intermolecular interactions present in the crystalline state.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of the crystal packing revealed the presence of hydrogen bonding.

Main Results:

  • The crystal structure of C(9)H(7)NO was successfully determined.
  • A dihedral angle of 3.98(12)° was measured between the benzene and pyrrole rings, indicating a near-planar conformation.
  • N-H⋯O hydrogen bonds were identified, linking molecules into chains along the [02-1] direction.

Conclusions:

  • The crystal structure of C(9)H(7)NO exhibits a specific dihedral angle between its aromatic and heterocyclic rings.
  • Intermolecular hydrogen bonding plays a significant role in organizing the molecules within the crystal lattice.