2-(p-Tol-yloxy)pyrimidine.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their chemical behavior and potential applications.
• The title compound, C(11)H(10)N(2)O, represents a class of molecules with potential relevance in materials science or medicinal chemistry.

Purpose of the Study:

• To elucidate the detailed molecular geometry of the title compound, C(11)H(10)N(2)O.
• To quantify specific bond angles and dihedral angles within the molecule.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the atomic coordinates and unit cell parameters.
• Crystallographic data were analyzed to calculate bond lengths, bond angles, and dihedral angles.

Main Results:

• The crystal structure of C(11)H(10)N(2)O was successfully determined.
• A notable dihedral angle of 76.3(1)° was observed between the two aromatic rings.
• The C-O-C angle at the ether linkage was found to be significantly widened to 117.79(9)°.

Conclusions:

• The determined molecular geometry provides a fundamental understanding of the structural characteristics of C(11)H(10)N(2)O.
• The observed dihedral and bond angles suggest specific conformational preferences and potential steric interactions within the molecule.