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Related Experiment Videos

2-Chloro-4,6-dimethoxy-1,3,5-triazine.

Natalya Fridman1, Moshe Kapon, Menahem Kaftory

  • 1Department of Chemistry, Technion-Israel Institute of Technology, Haifa 32000, Israel.

Acta Crystallographica. Section C, Crystal Structure Communications
|December 13, 2003
PubMed
Summary
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Crystallographic analysis reveals 2-chloro-4,6-dimethoxy-1,3,5-triazine molecules align on a mirror plane. Despite close methyl-nitrogen proximity, solid-state methyl rearrangement is not observed, confirmed by differential scanning calorimetry.

Area of Science:

  • Crystallography
  • Solid-state chemistry
  • Molecular structure

Background:

  • 2-chloro-4,6-dimethoxy-1,3,5-triazine is a heterocyclic compound with potential applications in materials science.
  • Understanding molecular packing and intermolecular interactions is crucial for predicting material properties.
  • Previous studies have not fully elucidated the solid-state behavior of this specific triazine derivative.

Purpose of the Study:

  • To determine the crystal structure of 2-chloro-4,6-dimethoxy-1,3,5-triazine.
  • To investigate intermolecular interactions, specifically the proximity of methyl groups to nitrogen atoms.
  • To assess the occurrence of methyl rearrangement in the solid state.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.

Related Experiment Videos

  • Analysis of crystallographic data to identify molecular symmetry and close contacts.
  • Differential scanning calorimetry (DSC) was used to study thermal behavior and potential solid-state reactions.

    • Main Results:

    • The crystal structure shows molecules of 2-chloro-4,6-dimethoxy-1,3,5-triazine lying on a crystallographic mirror plane.
    • A close contact of 3.180(3) Å was observed between a methyl carbon atom and a nitrogen atom of a neighboring molecule.
    • Differential scanning calorimetry indicated no methyl rearrangement occurs in the solid state.

    Conclusions:

    • The crystallographic arrangement does not facilitate solid-state methyl rearrangement in 2-chloro-4,6-dimethoxy-1,3,5-triazine.
    • The observed close contact is insufficient to overcome the energy barrier for rearrangement under the studied conditions.
    • This finding contributes to the understanding of structure-property relationships in substituted triazines.