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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
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.
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.
- 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.
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