3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrrole
In the title compound, C20H29Br2NO8P2S, 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)&...
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International Union of Crystallography
2011-09-01
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811030273 |
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doaj-0bc7f04a6e6448fb81d7543948202c502020-11-25T00:53:19ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-09-01679o2212o221310.1107/S16005368110302733,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrroleS. KarthikeyanK. SethusankarGanesan Gobi RajeswaranArasambattu K. MohanakrishnanIn the title compound, C20H29Br2NO8P2S, 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 R22(10) graph-set motifs which are further consolidated by R22(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.http://scripts.iucr.org/cgi-bin/paper?S1600536811030273 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
S. Karthikeyan K. Sethusankar Ganesan Gobi Rajeswaran Arasambattu K. Mohanakrishnan |
spellingShingle |
S. Karthikeyan K. Sethusankar Ganesan Gobi Rajeswaran Arasambattu K. Mohanakrishnan 3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1H-pyrrole Acta Crystallographica Section E |
author_facet |
S. Karthikeyan K. Sethusankar Ganesan Gobi Rajeswaran Arasambattu K. Mohanakrishnan |
author_sort |
S. Karthikeyan |
title |
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_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_sort |
3,4-dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1h-pyrrole |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2011-09-01 |
description |
In the title compound, C20H29Br2NO8P2S, 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 R22(10) graph-set motifs which are further consolidated by R22(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. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536811030273 |
work_keys_str_mv |
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