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3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrrole
In the title compound, C(20)H(29)Br(2)NO(8)P(2)S, the pyrrole ring is essentially planar, with a maximum deviation of 0.013 (3) Å for a C atom. The pyrrole ring is almost orthogonal to the sulfonyl-bound phenyl ring, with a dihedral angle 88.5 (2)°. Both P atoms exhibit distorted tetrahedral config...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200636/ https://www.ncbi.nlm.nih.gov/pubmed/22064776 http://dx.doi.org/10.1107/S1600536811030273 |
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author | Karthikeyan, S. Sethusankar, K. Rajeswaran, Ganesan Gobi Mohanakrishnan, Arasambattu K. |
author_facet | Karthikeyan, S. Sethusankar, K. Rajeswaran, Ganesan Gobi Mohanakrishnan, Arasambattu K. |
author_sort | Karthikeyan, S. |
collection | PubMed |
description | In the title compound, C(20)H(29)Br(2)NO(8)P(2)S, the pyrrole ring is essentially planar, with a maximum deviation of 0.013 (3) Å for a C atom. The pyrrole ring is almost orthogonal to the sulfonyl-bound phenyl ring, with a dihedral angle 88.5 (2)°. Both P atoms exhibit distorted tetrahedral configurations with O—P—O angles widened and O—P—C angles narrowed from the ideal tetrahedral value. In the crystal, molecules are linked into centrosymmetric dimers via C—H⋯O interactions, resulting in R (2) (2)(10) graph-set motifs which are further consolidated by R (2) (2)(13) graph-set ring motifs via C—H⋯O interactions, further resulting in chains of molecules running parallel to the c axis; a phosphono O atom is involved in bifurcated hydrogen bonding. All the ethoxy groups are disordered over two positions each with unequal site-occupancy factors. |
format | Online Article Text |
id | pubmed-3200636 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32006362011-11-06 3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrrole Karthikeyan, S. Sethusankar, K. Rajeswaran, Ganesan Gobi Mohanakrishnan, Arasambattu K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(29)Br(2)NO(8)P(2)S, the pyrrole ring is essentially planar, with a maximum deviation of 0.013 (3) Å for a C atom. The pyrrole ring is almost orthogonal to the sulfonyl-bound phenyl ring, with a dihedral angle 88.5 (2)°. Both P atoms exhibit distorted tetrahedral configurations with O—P—O angles widened and O—P—C angles narrowed from the ideal tetrahedral value. In the crystal, molecules are linked into centrosymmetric dimers via C—H⋯O interactions, resulting in R (2) (2)(10) graph-set motifs which are further consolidated by R (2) (2)(13) graph-set ring motifs via C—H⋯O interactions, further resulting in chains of molecules running parallel to the c axis; a phosphono O atom is involved in bifurcated hydrogen bonding. All the ethoxy groups are disordered over two positions each with unequal site-occupancy factors. International Union of Crystallography 2011-08-02 /pmc/articles/PMC3200636/ /pubmed/22064776 http://dx.doi.org/10.1107/S1600536811030273 Text en © Karthikeyan et al. 2011 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 | Organic Papers Karthikeyan, S. Sethusankar, K. Rajeswaran, Ganesan Gobi Mohanakrishnan, Arasambattu K. 3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrrole |
title | 3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrrole |
title_full | 3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrrole |
title_fullStr | 3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrrole |
title_full_unstemmed | 3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrrole |
title_short | 3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrrole |
title_sort | 3,4-dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1h-pyrrole |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200636/ https://www.ncbi.nlm.nih.gov/pubmed/22064776 http://dx.doi.org/10.1107/S1600536811030273 |
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