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Updated: Jun 1, 2026
11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
1H-Benzimidazole-2(3H)-thione
Summary
This study details the crystal structure of a compound containing carbon, nitrogen, and sulfur. Molecules are linked by intermolecular hydrogen bonds, forming a specific crystal lattice.
Area of Science:
- Crystallography
- Chemical structure analysis
- Supramolecular chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in molecules is crucial for predicting chemical properties and reactivity.
- Hydrogen bonding plays a significant role in the self-assembly of molecules in the solid state, influencing crystal packing and material properties.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(7)H(6)N(2)S.
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
- Crystallographic analysis was performed to identify symmetry elements and intermolecular contacts.
Main Results:
- The asymmetric unit contains one half-molecule, with the C=S group atoms situated on a crystallographic mirror plane.
- Intermolecular N-H⋯S hydrogen bonds were identified as the primary driving force for molecular assembly in the crystal structure.
Conclusions:
- The crystal structure of C(7)H(6)N(2)S is characterized by its unique molecular arrangement dictated by symmetry and hydrogen bonding.
- The identified N-H⋯S hydrogen bonds are key to the observed crystal packing, offering insights into the compound's solid-state behavior.
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