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Crystal structure of bis­(3,3-dimethyl-2-oxobut­yl)di­phenyl­phospho­nium bromide chloro­form monosolvate

In the title salt solvate, C(24)H(32)O(2)P(+)·Br(−)·CHCl(3), the P atom has a distorted tetra­hedral 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....

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Autores principales: Kulesza, Alyssa A., Staples, Richard J., Biros, Shannon M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420080/
https://www.ncbi.nlm.nih.gov/pubmed/25995937
http://dx.doi.org/10.1107/S205698901500763X
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author Kulesza, Alyssa A.
Staples, Richard J.
Biros, Shannon M.
author_facet Kulesza, Alyssa A.
Staples, Richard J.
Biros, Shannon M.
author_sort Kulesza, Alyssa A.
collection PubMed
description In the title salt solvate, C(24)H(32)O(2)P(+)·Br(−)·CHCl(3), the P atom has a distorted tetra­hedral 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 chloro­form solvent mol­ecule that was modeled over three positions (occupancy ratio 0.50:0.35:0.15). Weak inter­molecular inter­actions (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.
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spelling pubmed-44200802015-05-20 Crystal structure of bis­(3,3-dimethyl-2-oxobut­yl)di­phenyl­phospho­nium bromide chloro­form monosolvate Kulesza, Alyssa A. Staples, Richard J. Biros, Shannon M. Acta Crystallogr E Crystallogr Commun Data Reports In the title salt solvate, C(24)H(32)O(2)P(+)·Br(−)·CHCl(3), the P atom has a distorted tetra­hedral 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 chloro­form solvent mol­ecule that was modeled over three positions (occupancy ratio 0.50:0.35:0.15). Weak inter­molecular inter­actions (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. International Union of Crystallography 2015-04-25 /pmc/articles/PMC4420080/ /pubmed/25995937 http://dx.doi.org/10.1107/S205698901500763X Text en © Kulesza et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Kulesza, Alyssa A.
Staples, Richard J.
Biros, Shannon M.
Crystal structure of bis­(3,3-dimethyl-2-oxobut­yl)di­phenyl­phospho­nium bromide chloro­form monosolvate
title Crystal structure of bis­(3,3-dimethyl-2-oxobut­yl)di­phenyl­phospho­nium bromide chloro­form monosolvate
title_full Crystal structure of bis­(3,3-dimethyl-2-oxobut­yl)di­phenyl­phospho­nium bromide chloro­form monosolvate
title_fullStr Crystal structure of bis­(3,3-dimethyl-2-oxobut­yl)di­phenyl­phospho­nium bromide chloro­form monosolvate
title_full_unstemmed Crystal structure of bis­(3,3-dimethyl-2-oxobut­yl)di­phenyl­phospho­nium bromide chloro­form monosolvate
title_short Crystal structure of bis­(3,3-dimethyl-2-oxobut­yl)di­phenyl­phospho­nium bromide chloro­form monosolvate
title_sort crystal structure of bis­(3,3-dimethyl-2-oxobut­yl)di­phenyl­phospho­nium bromide chloro­form monosolvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420080/
https://www.ncbi.nlm.nih.gov/pubmed/25995937
http://dx.doi.org/10.1107/S205698901500763X
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