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Updated: May 19, 2026
09:45
Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
3-Acetyl-1-(2,4-dimethyl-phen-yl)thio-urea
Acta Crystallographica. Section E, Structure Reports Online
|August 21, 2012
Summary
The crystal structure of C(11)H(14)N(2)OS reveals specific hydrogen bonding patterns. Molecules form chains through intermolecular N-H⋯S and N-H⋯O interactions, alongside an intramolecular N-H⋯O bond.
Area of Science:
- Crystallography
- Molecular Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular interactions is crucial in crystal engineering.
- Hydrogen bonding plays a key role in determining crystal packing and properties.
- The title compound, C(11)H(14)N(2)OS, presents an interesting case for structural analysis.
Purpose of the Study:
- To elucidate the crystal structure of C(11)H(14)N(2)OS.
- To identify and characterize hydrogen bonding interactions within the crystal lattice.
- To analyze the resulting supramolecular architecture.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of hydrogen bond donors and acceptors was performed.
- Topological analysis of hydrogen bond motifs (e.g., S(6), R(2)(2)(8), R(2)(2)(12)) was conducted.
Main Results:
- The crystal structure of C(11)H(14)N(2)OS was successfully determined.
- An intramolecular N-H⋯O hydrogen bond forms an S(6) ring.
- Intermolecular N-H⋯S and N-H⋯O hydrogen bonds link molecules into chains along the [1-10] direction, forming R(2)(2)(8) and R(2)(2)(12) motifs, respectively.
Conclusions:
- The crystal packing of C(11)H(14)N(2)OS is governed by a combination of intramolecular and intermolecular hydrogen bonds.
- The identified hydrogen bonding motifs dictate the formation of one-dimensional chains.
- This structural insight contributes to the understanding of hydrogen bonding in organic compounds.
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