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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...

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Autores principales: Karthikeyan, S., Sethusankar, K., Rajeswaran, Ganesan Gobi, Mohanakrishnan, Arasambattu K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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