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6-Oxo-2,2,4,4,6-pentaphenoxycyclotri-lambda 5-phosphazane-1,3-diene.
M Parvez1, S Kwon, H R Allcock
1Department of Chemistry, Pennsylvania State University, University Park 16802.
Acta Crystallographica. Section C, Crystal Structure Communications
|February 15, 1991
Summary
This study details the crystal structure of a novel phosphazene compound, revealing a boat conformation in its P3N3 ring. The specific bond lengths and angles provide insights into its chemical properties.
Area of Science:
- Inorganic Chemistry
- Crystallography
- Materials Science
Background:
- Phosphazene compounds are known for their unique chemical structures and diverse applications.
- Understanding the precise molecular geometry of novel phosphazenes is crucial for predicting their properties and potential uses.
Purpose of the Study:
- To elucidate the crystal structure of a specific phosphazene compound (C30H26N3O6P3).
- To analyze the conformation and key bond parameters within the phosphazene ring system.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Crystallographic data including unit cell parameters, space group, and atomic coordinates were collected and refined.
Main Results:
- The compound crystallizes in the monoclinic space group P2(1)/n.
- The central P3N3 ring adopts a boat conformation, with distinct deviations of phosphorus and nitrogen atoms from the ring plane.
- Specific bond lengths for P=O, P-N, and P-O bonds were accurately determined.
Conclusions:
- The determined boat conformation of the P3N3 ring in this phosphazene is a key structural feature.
- The precise bond length data offers valuable information for theoretical calculations and understanding chemical reactivity.