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3,4-Dibromo-2,5-bis-[(dieth-oxy-phosphor-yl)meth-yl]-1-phenyl-sulfonyl-1H-pyrrole.


ABSTRACT: 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 tetra-hedral configurations with O-P-O angles widened and O-P-C angles narrowed from the ideal tetra-hedral value. In the crystal, mol-ecules are linked into centrosymmetric dimers via C-H?O inter-actions, 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 inter-actions, further resulting in chains of mol-ecules running parallel to the c axis; a phosphono O atom is involved in bifurcated hydrogen bonding. All the eth-oxy groups are disordered over two positions each with unequal site-occupancy factors.

SUBMITTER: Karthikeyan S 

PROVIDER: S-EPMC3200636 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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3,4-Dibromo-2,5-bis-[(dieth-oxy-phosphor-yl)meth-yl]-1-phenyl-sulfonyl-1H-pyrrole.

Karthikeyan S S   Sethusankar K K   Rajeswaran Ganesan Gobi GG   Mohanakrishnan Arasambattu K AK  

Acta crystallographica. Section E, Structure reports online 20110802 Pt 9


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 tetra-hedral configurations with O-P-O angles widened and O-P-C angles narrowed from the ideal tetra-hedral value. In the crystal, mol-ecules are linked into centrosymmetric dimers via C-H⋯O inter-actions, resulting in  ...[more]

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