2-(2-Thien-yl)-4,5-dihydro-1H-imidazole
Summary
This study details the crystal structure of a C(7)H(8)N(2)S compound, revealing twisted five-membered rings and one-dimensional molecular chains formed by hydrogen bonds. The structure is further stabilized by weak interactions.
Area of Science:
- Crystallography
- Chemical Physics
- Materials Science
Background:
- Understanding the intermolecular forces and structural arrangements of organic compounds is crucial for predicting their physical and chemical properties.
- The specific compound C(7)H(8)N(2)S presents an interesting case for structural analysis due to its heterocyclic nature.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title compound C(7)H(8)N(2)S.
- To identify and characterize the intermolecular interactions that govern the compound's solid-state architecture.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional arrangement of molecules in the crystal lattice.
- Analysis of bond lengths, bond angles, and intermolecular contacts was performed to understand the structural features.
Main Results:
- The five-membered rings within the C(7)H(8)N(2)S molecule exhibit a twisted conformation with a dihedral angle of 5.17(10)°.
- Intermolecular hydrogen bonds (N-H⋯N and C-H⋯N) form seven-membered rings (R(2)(1)(7) motifs), linking molecules into 1D chains along the c-axis.
- Weak intermolecular C-H⋯π interactions further stabilize the crystal structure.
Conclusions:
- The crystal structure of C(7)H(8)N(2)S is characterized by specific ring conformations and a 1D chain arrangement driven by hydrogen bonding.
- The identified intermolecular interactions provide insights into the self-assembly behavior and potential properties of this compound.
Related Concept Videos
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01:16[4+2] Cycloaddition of Conjugated Dienes: Diels–Alder Reaction
The Diels–Alder reaction is an example of a thermal pericyclic reaction between a conjugated diene and an alkene or alkyne, commonly referred to as a dienophile. The reaction involves a concerted movement of six π electrons, four from the diene and two from the dienophile, forming an unsaturated six-membered ring. As a result, these reactions are classified as [4+2] cycloadditions.
01:25Basicity of Heterocyclic Aromatic Amines
Heterocyclic amines, where the N atom is a part of an alicyclic system, are similar in basicity to alkylamines. Interestingly, the heterocyclic amine having a nitrogen atom as part of an aromatic ring has much less basicity than its corresponding alicyclic counterpart. For this reason, as presented in Figure 1, piperidine (pKb = 2.8) is significantly more basic than pyridine (pKb = 8.8).
02:37Disubstituted Cyclohexanes: cis-trans Isomerism
Depending upon the different spatial orientation of the substituents, the disubstituted cycloalkanes exhibit two types of stereoisomers. The cis isomers have the substituents on the same side of the ring, whereas the trans isomers have the substituents on the opposite sides. These stereoisomers exhibit different physical properties and cannot be interconverted without breaking the carbon-carbon bonds.
In cyclohexane, the substituents can occupy different positions generating distinct isomers.
In cyclohexane, the substituents can occupy different positions generating distinct isomers.