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Updated: May 27, 2026
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Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
N,N'-Bis[1-(thiophen-2-yl)ethylidene]ethane-1,2-diamine
Acta Crystallographica. Section E, Structure Reports Online
|November 8, 2011
Summary
The crystal structure of C(14)H(16)N(2)S(2) reveals molecular symmetry with a central inversion point. The study details the near-planar configuration of a key molecular fragment, C(4)H(3)S(CH(3))C=N-CH(2)-.
Area of Science:
- Crystallography
- Molecular structure determination
- Organic chemistry
Background:
- Understanding molecular symmetry is crucial in chemical analysis.
- The specific compound C(14)H(16)N(2)S(2) was investigated for its structural properties.
Purpose of the Study:
- To elucidate the three-dimensional structure of C(14)H(16)N(2)S(2).
- To identify key structural features such as symmetry elements and planarity of molecular fragments.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of atomic coordinates to identify the center of inversion and assess planarity.
Main Results:
- Molecules of C(14)H(16)N(2)S(2) possess a center of inversion located mid-bond in the -CH(2)-CH(2)- linkage.
- The (C(4)H(3)S)(CH(3))C=N-CH(2)- moiety exhibits near-planarity, with a root-mean-square deviation of 0.027 Å for non-hydrogen atoms.
Conclusions:
- The determined structure confirms the presence of a specific symmetry element in the molecule.
- The observed planarity of the specified fragment provides insights into the molecule's conformation and potential reactivity.
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