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Updated: Jun 1, 2026
11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
2-Methyl-3-(n-octylsulfan-yl)quinoxaline
Summary
The crystal structure of C(17)H(24)N(2)S reveals a planar arrangement of non-hydrogen atoms. The flexible octyl chain exhibits an all-trans conformation in its solid-state structure.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the solid-state structure of organic molecules is crucial for predicting their physical and chemical properties.
- Molecular conformation and planarity influence intermolecular interactions and material characteristics.
Purpose of the Study:
- To determine the precise three-dimensional structure of the title compound, C(17)H(24)N(2)S, using X-ray crystallography.
- To analyze the conformational preferences of the octyl chain and the planarity of the non-hydrogen atom framework.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to collect diffraction data.
- The crystal structure was solved and refined using standard crystallographic software.
Main Results:
- The crystal structure of C(17)H(24)N(2)S was successfully determined.
- All non-hydrogen atoms were found to lie nearly in a common plane, with an r.m.s. deviation of 0.049 Å.
- The C8 alkyl chain adopted a fully extended, all-trans conformation.
Conclusions:
- The title compound exhibits a high degree of planarity in its non-hydrogen framework.
- The observed all-trans conformation of the octyl chain suggests minimal steric hindrance or specific packing forces influencing its conformation in the solid state.
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