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Updated: Jun 1, 2026
09:45
Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
(E)-3-Dimethyl-amino-1-(2-thien-yl)prop-2-en-1-one
1Deparment of Chemistry and Chemical Engineering, Hefei Teachers College, Hefei 230061, People's Republic of China.
Summary
This study reveals the molecular structure of C(9)H(11)NOS, showing a nearly planar skeleton with a thiophene ring slightly tilted. Crystal packing analysis found no unusually close intermolecular contacts in this organic molecule.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure Analysis
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Thiophene derivatives are important scaffolds in medicinal chemistry and materials science.
Purpose of the Study:
- To determine the precise molecular geometry and crystal packing of the title compound C(9)H(11)NOS.
- To investigate the planarity of the molecular skeleton and intermolecular interactions.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- The molecular skeleton's planarity was assessed by measuring the dihedral angle between the thiophene ring and the rest of the non-hydrogen atoms.
Main Results:
- The molecular skeleton of C(9)H(11)NOS was found to be essentially planar.
- The thiophene ring exhibited a slight inclination of 2.92(3)° relative to the mean plane of the other non-hydrogen atoms.
- Analysis of the crystal packing revealed no significantly short intermolecular contacts.
Conclusions:
- The study provides detailed structural information about C(9)H(11)NOS.
- The observed molecular geometry and packing suggest potential for specific intermolecular interactions in solid-state applications.
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