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Solid-state conformations of medium-sized-ring phosphorus heterocycles: Preparation and x-ray crystal structure of a benzo-fused 1,3,2-dioxaphosphepane in a twist conformation

✍ Scribed by William N. Setzer; Milton L. Brown; Chia-Kuei Wu; Edward J. Meehan

Publisher: John Wiley and Sons
Year: 1991
Tongue: English
Weight: 459 KB
Volume: 2
Category: Article
ISSN: 1042-7163
DOI: 10.1002/hc.520020505

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✦ Synopsis

Abstract

The crystal and molecular structure of the benzo‐fused seven‐membered‐ring phosphorus heterocycle, 2‐phenyl‐2‐oxo‐5,6‐benzo‐1,3,2‐dioxaphosphepane, has been determined by single‐crystal X‐ray techniques. The compound crystallizes in the monoclinic space group __P__2~1~/c with four molecules per unit cell of dimensions a = 13.312(1) Å, b = 7.6132(8) Å, c = 12.119(2) Å, and β = 95.990(9)°. Full‐matrix leastsquares refinement led to R = 4.4% and R~w~ = 5.9%. The conformation adopted by the 1,3,2‐dioxaphosphepane ring is a twist with approximate C~2~ symmetry.

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