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Aldehydes are named based on the systematic nomenclature rules set by the IUPAC. For acyclic aldehydes, the longest carbon chain containing the aldehydic (–CHO) group is considered the parent chain. The aldehyde is named by replacing the last letter “e” in the hydrocarbon name with “al”. For instance, a simple, seven-carbon-membered acyclic aldehyde is called heptanal, derived from heptane. The carbon chain is numbered starting from the aldehydic carbon, although the aldehydic carbon’s locant...
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Acta Crystallographica. Section E, Structure Reports Online
|May 18, 2011
PubMed
Summary

This study details the crystal structure of a molecule C(17)H(16)O(4), revealing a 69.1° angle between its aromatic rings. Intermolecular hydrogen bonds stabilize the crystal, forming inversion dimers.

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Area of Science:

  • Crystallography
  • Molecular structure analysis
  • Organic chemistry

Background:

  • Understanding molecular packing and intermolecular forces is crucial in solid-state chemistry.
  • The specific compound C(17)H(16)O(4) has not been previously characterized in terms of its detailed crystal structure.
  • Aromatic ring interactions and hydrogen bonding are key determinants of crystal lattice formation.

Purpose of the Study:

  • To elucidate the three-dimensional crystal structure of the molecule C(17)H(16)O(4).
  • To analyze the intermolecular interactions, specifically hydrogen bonding, that govern the crystal packing.
  • To quantify the spatial arrangement of the aromatic rings within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the atomic coordinates and unit cell parameters.
  • Analysis of the crystal structure included bond length, bond angle, and torsion angle measurements.
  • Intermolecular interactions were identified and characterized using geometric criteria and topological analysis.

Main Results:

  • The crystal structure of C(17)H(16)O(4) was successfully determined.
  • A significant angle of 69.1(6)° was observed between the planes of the aromatic rings.
  • The crystal lattice is stabilized by intermolecular O-H⋯O hydrogen bonds, forming inversion dimers through a center of symmetry.

Conclusions:

  • The crystal structure provides fundamental insights into the solid-state behavior of C(17)H(16)O(4).
  • The observed angle between aromatic rings suggests specific packing arrangements influencing molecular properties.
  • Hydrogen bonding plays a critical role in the self-assembly and stability of the crystal structure.