2-(o-Tol-yloxy)pyrimidine.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystallography provides a definitive method for elucidating molecular structures in the solid state.

Purpose of the Study:

• To determine and analyze the crystal structure of the title compound, C(11)H(10)N(2)O.
• To characterize key geometric parameters, such as bond angles and dihedral angles, within the molecule's asymmetric unit.

Main Methods:

• Single-crystal X-ray diffraction was employed to obtain the crystallographic data.
• The crystal structure was solved and refined to determine atomic positions and molecular geometry.

Main Results:

• The title compound, C(11)H(10)N(2)O, crystallizes with two molecules in the asymmetric unit.
• The ether oxygen atom exhibits a widened angle (118.13(15)° and 117.89(16)°).
• Significant dihedral angles between the six-membered rings were observed (84.3(1)° and 87.4(1)°).

Conclusions:

• The crystal structure provides precise geometric data for C(11)H(10)N(2)O.
• The observed widened ether angle and dihedral angles offer insights into the molecule's conformation and potential intermolecular interactions.