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Related Experiment Videos

4-(N-Hydroxyethyl-N-methylamino)benzaldehyde thiosemicarbazone

Shanmuga Sundara Raj S1, Fun, Zhang

  • 1X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

Acta Crystallographica. Section C, Crystal Structure Communications
|October 12, 2000
PubMed
Summary

The crystal structure of C(11)H(16)N(4)OS reveals a dihedral angle between its phenyl and thiosemicarbazone groups. Hydrogen bonds create a unique two-dimensional network, offering insights into molecular arrangement.

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Acta crystallographica. Section C, Crystal structure communications·2000

Area of Science:

  • Crystallography
  • Chemical structure analysis
  • Supramolecular chemistry

Background:

  • Understanding the three-dimensional arrangement of atoms in molecules is crucial for predicting chemical properties and reactivity.
  • Thiosemicarbazone derivatives are known for their diverse biological activities and coordination chemistry.
  • Crystal structure analysis provides precise atomic-level details of molecular conformation and intermolecular interactions.

Purpose of the Study:

  • To determine the precise crystal structure of the title compound, C(11)H(16)N(4)OS.
  • To investigate the conformational relationship between the phenyl ring and the thiosemicarbazone moiety.
  • To identify and characterize the intermolecular interactions governing the crystal packing.

Main Methods:

  • Single-crystal X-ray diffraction was employed to collect diffraction data.

Related Experiment Videos

  • The crystal structure was solved and refined using standard crystallographic software.
  • Analysis of hydrogen bonding and geometric parameters was performed.

    • Main Results:

    • The crystal structure of C(11)H(16)N(4)OS was successfully determined.
    • A dihedral angle of 7.7 (1) degrees was observed between the phenyl ring and the thiosemicarbazone moiety.
    • The crystal packing is characterized by a two-dimensional network formed through N-H···O and O-H···S hydrogen bonds.

    Conclusions:

    • The study elucidates the detailed molecular structure and hydrogen bonding network of the title compound.
    • The observed dihedral angle provides information about the relative orientation of key functional groups.
    • The formation of a 2D network highlights the role of specific hydrogen bonds in stabilizing the crystal lattice.