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N-(4-Chloro-phen-yl)-1,1,1-trifluoro-N-(trifluoro-methyl-sulfon-yl)methane-sulfonamide.

ABSTRACT: The title mol-ecule, also called 4-chloro-N,N-bis-(trifluoro-methane-sulfon-yl)aniline, C(8)H(4)ClF(6)NO(4)S(2), has non-crystallographic twofold symmetry with the pseudo-axis aligned along the Cl-C?C-N backbone of the mol-ecule: the SO(2)CF(3) residues lie to either side of the benzene ring. In the crystal, the presence of C-H?O contacts lead to the formation of a sequence of 12-membered {?HC(2)NSO}(2) synthons within a supra-molecular chain aligned along [101].

SUBMITTER: Boechat N

PROVIDER: S-EPMC2983512 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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N-(4-Chloro-phen-yl)-1,1,1-trifluoro-N-(trifluoro-methyl-sulfon-yl)methane-sulfonamide.

Boechat Núbia N Dos Santos Lages Adriana A Kover Warner B WB Tiekink Edward R T ER Wardell James L JL Wardell Solange M S V SM

Acta crystallographica. Section E, Structure reports online 20100203 Pt 3

The title mol-ecule, also called 4-chloro-N,N-bis-(trifluoro-methane-sulfon-yl)aniline, C(8)H(4)ClF(6)NO(4)S(2), has non-crystallographic twofold symmetry with the pseudo-axis aligned along the Cl-C⋯C-N backbone of the mol-ecule: the SO(2)CF(3) residues lie to either side of the benzene ring. In the crystal, the presence of C-H⋯O contacts lead to the formation of a sequence of 12-membered {⋯HC(2)NSO}(2) synthons within a supra-molecular chain aligned along [101]. ...[more]

PMID: 21580282

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