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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....
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4420080 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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