2-(2-Naphth-yloxy)pyrimidine.
Nasir Shah Bakhtiar1, Maizathul Akmam A Bakar, Zanariah Abdullah
1Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
Summary
Structural analysis of the C(14)H(10)N(2)O compound reveals a near-perpendicular arrangement between its organic rings. The ether oxygen atom exhibits a widened bond angle, impacting molecular geometry.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The specific compound C(14)H(10)N(2)O, a nitrogen- and oxygen-containing organic molecule, warrants detailed structural investigation.
Purpose of the Study:
- To elucidate the precise molecular geometry and crystal structure of the title compound, C(14)H(10)N(2)O.
- To quantify the dihedral angle between the organic rings and the bond angle at the ether oxygen atom.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Crystallographic data were analyzed to ascertain the molecular conformation.
Main Results:
- The organic rings within the C(14)H(10)N(2)O crystal structure are inclined at a significant angle of 86.1(1)°.
- A notable widening of the bond angle at the ether oxygen atom was observed, measuring 117.18(14)°.
Conclusions:
- The study provides precise crystallographic data for C(14)H(10)N(2)O, detailing its non-planar ring system and altered ether oxygen angle.
- These geometric parameters offer insights into the molecule's electronic distribution and potential intermolecular interactions.
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