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Related Experiment Videos

4,5-Diazafluoren-9-ol.

C Tu1, D R Zhu, Y Xu

  • 1Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing 210093, People's Republic of China.

Acta Crystallographica. Section C, Crystal Structure Communications
|November 15, 2000
PubMed
Summary
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This study details the crystal structure of C(11)H(8)N(2)O, revealing two independent, near-planar molecules. Hydrogen bonding interactions involving nitrogen atoms are key to stabilizing the crystal arrangement.

Area of Science:

  • Crystallography
  • Molecular structure analysis
  • Supramolecular chemistry

Background:

  • Understanding molecular arrangements in solids is crucial for materials science.
  • The specific compound C(11)H(8)N(2)O's solid-state properties are not well-documented.
  • Investigating intermolecular interactions provides insights into crystal engineering.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound, C(11)H(8)N(2)O.
  • To analyze the molecular geometry and planarity of the independent molecules.
  • To characterize the hydrogen bonding network and its role in crystal stabilization.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the crystal structure.
  • Analysis of bond lengths, angles, and intermolecular contacts was performed.

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  • Hydrogen bond geometry was quantified to understand their influence.

    • Main Results:

    • The asymmetric unit contains two crystallographically independent molecules of C(11)H(8)N(2)O.
    • Both molecules exhibit near-planarity, with the oxygen atom deviating slightly.
    • Differential hydrogen bond acceptor behavior was observed for the two nitrogen atoms.
    • One nitrogen atom actively participates in intermolecular O-H···N hydrogen bonds.

    Conclusions:

    • The crystal structure is stabilized by a network of intermolecular hydrogen bonds.
    • The distinct roles of the nitrogen atoms as hydrogen bond acceptors influence the overall packing.
    • This detailed structural analysis provides a foundation for understanding the physical properties of C(11)H(8)N(2)O.