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Updated: May 22, 2026

Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
N,N'-Bis[(E)-1-(thio-phen-3-yl)ethyl-idene]ethane-1,2-diamine
This study details the molecular structure of C(14)H(16)N(2)S(2), revealing a near-planar thiophene and imine group. Crystal analysis shows specific bond lengths and intermolecular interactions, including sulfur-sulfur contacts.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the molecular structure and intermolecular forces of organic compounds is crucial for predicting their physical and chemical properties.
- C(14)H(16)N(2)S(2) is a novel compound with potential applications in materials science.
Purpose of the Study:
- To elucidate the complete molecular structure of C(14)H(16)N(2)S(2) using X-ray crystallography.
- To analyze the conformation, bond characteristics, and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, torsion angles, and intermolecular contacts (C-H⋯N, C-H⋯π, S⋯S) was performed.
Main Results:
- The molecule C(14)H(16)N(2)S(2) is centrosymmetric, generated by a crystallographic inversion center.
- The thiophene ring and imine group exhibit near-coplanarity (torsion angle 6.5°).
- The imine bond length is 1.281 Å, with an E conformation. Significant S⋯S interactions (3.3932 Å) were observed.
Conclusions:
- The crystal structure of C(14)H(16)N(2)S(2) is stabilized by a combination of hydrogen bonds, C-H⋯π interactions, and S⋯S contacts.
- The determined structural features provide fundamental insights into the solid-state behavior of this compound.
- Further research can explore the implications of these structural characteristics for material properties.
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