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11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
2,3-Bis(thio-phen-3-yl)quinoxaline
Guy Crundwell1, Jorge de Freitas
1Department of Chemistry, Central Connecticut State University, New Britain, CT 06053, USA.
Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
Summary
This study details the crystal structure of a novel C16H10N2S2 compound, revealing specific molecular orientations and packing arrangements. The research highlights thienyl ring inclination and herringbone packing with pi-pi stacking interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular packing is crucial for predicting material properties.
- Heterocyclic compounds containing sulfur and nitrogen offer diverse applications.
Purpose of the Study:
- To elucidate the crystal structure of the title compound (C16H10N2S2).
- To analyze the molecular geometry, including ring inclinations and intermolecular interactions.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of molecular conformation and crystal packing was performed.
Main Results:
- The thienyl rings exhibit significant inclination to each other (62.71°) and to the quinoline plane (63.94°, 21.35°).
- The crystal structure features a herringbone packing motif.
- Evidence of pi-pi stacking interactions was observed with specific centroid-centroid distances (3.7381 Å and 3.7268 Å).
Conclusions:
- The determined crystal structure provides fundamental insights into the solid-state behavior of this C16H10N2S2 compound.
- The observed packing and interactions suggest potential for tailored material design.
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