Synthetic, structural and theoretical studies on new aromatic 1,2,4-azadiphosphole ring systems: crystal and molecular structure of P2C2But2NPh

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F. Geoffrey N. Cloke, Peter B. Hitchcock, John F. Nixon, D. James Wilson, Frank Tabellion, Uwe Fischbeck, Fritz Preuss and Manfred Regitz


Abstract

Two different synthetic routes to the new aromatic 1,2,4-azadiphosphole ring system P2C2But2NR (R = Pri, Pr, Ph, MeC6H4, ButCH2 and cyclohexyl) are presented and the planar structure of P2C2But2NPh, established by a single crystal X-ray diffraction study, is in good agreement with theoretical calculations at the B3LYP/6-311G* level on the parent P2C2H2NH ring.


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