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2,2'-(Disulfanedi-yl)bis-[4,6-(4-fluoro-phen-yl)pyrimidine].

ABSTRACT: The title compound, C(32)H(18)F(4)N(4)S(2), is a disulfide symmetric-ally substituted with two diaza-meta-terphenyl groups. In the crystal, the mol-ecule adopts a twisted conformation with a C-S-S-C torsion angle of -91.82?(7)°. One of the 4,6-(4-fluoro-phen-yl)pyrimidine groups is virtually planar, with dihedral angles between the pyrimidine and benzene groups of 4.00?(8) and 5.44?(8)°, wheares the other is non-planar with analogues dihedral angles of 18.69?(8) and 26.60?(8)°. The planar 4,6-(4-fluoro-phen-yl)pyrimidine groups are involved in ?-? stacking inter-actions via their 4-fluoro-phenyl groups [centroid-centroid distances of 3.8556?(11) and 3.9284?(11)?Å] that assemble the mol-ecules into columns extended along the a axis. In addition, the structure is stabilized by C-F?? [F?centroid = 3.4017?(16)?Å], C-H?F and C-H?? inter-actions.

SUBMITTER: Betz R 

PROVIDER: S-EPMC3275226 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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2,2'-(Disulfanedi-yl)bis-[4,6-(4-fluoro-phen-yl)pyrimidine].

Betz Richard R   Gerber Thomas T   Hosten Eric E   Samshuddin Serenthimata S   Samshuddin Serenthimata S   Narayana Badiadka B   Sarojini Balladka K BK  

Acta crystallographica. Section E, Structure reports online 20120121 Pt 2

The title compound, C(32)H(18)F(4)N(4)S(2), is a disulfide symmetric-ally substituted with two diaza-meta-terphenyl groups. In the crystal, the mol-ecule adopts a twisted conformation with a C-S-S-C torsion angle of -91.82 (7)°. One of the 4,6-(4-fluoro-phen-yl)pyrimidine groups is virtually planar, with dihedral angles between the pyrimidine and benzene groups of 4.00 (8) and 5.44 (8)°, wheares the other is non-planar with analogues dihedral angles of 18.69 (8) and 26.60 (8)°. The planar 4,6-(4  ...[more]

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