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(R)-2-[1-(2,6-Dichloro-3,4,5-trimeth-oxy-benzo-yl)pyrrolidin-2-yl]-4,4,5,5-tetra-methyl-4,5-dihydro-1H-imidazole-1-oxyl 3-oxide.

ABSTRACT: In the title compound, C(21)H(28)Cl(2)N(3)O(6), the nitronyl nitroxide ring displays a half-chair conformation, whereas the pyrrolidine ring has an envelope conformation. These two rings are twisted to each other with N-C-C-N torsion angles around the connecting C-C bond of 48.9?(6) and -127.0?(5)°. The benzene ring is nearly perpendicular to the pyrrolidine ring, with torsion angles around the connecting C-C bond of 86.3?(6) and -97.7?(6)°. The crystal structure is stabilized by C-H?O and C-H?? hydrogen bonds, which build up a three-dimensional network.

SUBMITTER: Wang HB 

PROVIDER: S-EPMC3099877 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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(R)-2-[1-(2,6-Dichloro-3,4,5-trimeth-oxy-benzo-yl)pyrrolidin-2-yl]-4,4,5,5-tetra-methyl-4,5-dihydro-1H-imidazole-1-oxyl 3-oxide.

Wang Hai-Bo HB   Xiang Zhuo Z   Jing Lin-Lin LL   Tian Min M   Sun Xiao-Li XL  

Acta crystallographica. Section E, Structure reports online 20110326 Pt 4

In the title compound, C(21)H(28)Cl(2)N(3)O(6), the nitronyl nitroxide ring displays a half-chair conformation, whereas the pyrrolidine ring has an envelope conformation. These two rings are twisted to each other with N-C-C-N torsion angles around the connecting C-C bond of 48.9 (6) and -127.0 (5)°. The benzene ring is nearly perpendicular to the pyrrolidine ring, with torsion angles around the connecting C-C bond of 86.3 (6) and -97.7 (6)°. The crystal structure is stabilized by C-H⋯O and C-H⋯π  ...[more]

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