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Crystal structure of bis-(3,3-dimethyl-2-oxobut-yl)di-phenyl-phospho-nium bromide chloro-form monosolvate.


ABSTRACT: In the title salt solvate, C24H32O2P(+)·Br(-)·CHCl3, the P atom has a distorted tetra-hedral geometry, and the planes of the phenyl rings form a dihedral angle of 71.86?(14)° with one another. The bromide anion is disordered and was modelled over three positions (occupancy ratio 0.50:0.35:0.15). The crystal also contains one disordered chloro-form solvent mol-ecule that was modeled over three positions (occupancy ratio 0.50:0.35:0.15). Weak inter-molecular inter-actions (C-H?Br and C-H?O) exist between the complex cation and the bromide anion fragments. The resulting supramolecular structure is an oval-shaped arrangement of phosphonium salt molecules that surround the disordered bromide anion.

SUBMITTER: Kulesza AA 

PROVIDER: S-EPMC4420080 | biostudies-other | 2015 May

REPOSITORIES: biostudies-other

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Crystal structure of bis-(3,3-dimethyl-2-oxobut-yl)di-phenyl-phospho-nium bromide chloro-form monosolvate.

Kulesza Alyssa A AA   Staples Richard J RJ   Biros Shannon M SM  

Acta crystallographica. Section E, Crystallographic communications 20150425 Pt 5


In the title salt solvate, C24H32O2P(+)·Br(-)·CHCl3, the P atom has a distorted tetra-hedral geometry, and the planes of the phenyl rings form a dihedral angle of 71.86 (14)° with one another. The bromide anion is disordered and was modelled over three positions (occupancy ratio 0.50:0.35:0.15). The crystal also contains one disordered chloro-form solvent mol-ecule that was modeled over three positions (occupancy ratio 0.50:0.35:0.15). Weak inter-molecular inter-actions (C-H⋯Br and C-H⋯O) exist  ...[more]

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