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

Betz R, Gerber T, Hosten E, Samshuddin S, Narayana B, Sarojini BK - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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 π-π 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⋯π [F⋯centroid = 3.4017 (16) Å], C-H⋯F and C-H⋯π inter-actions.

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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 π-π 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⋯π [F⋯centroid = 3.4017 (16) Å], C-H⋯F and C-H⋯π inter-actions.

No MeSH data available.


Related in: MedlinePlus

Intermolecular contacts, viewed along [0 1 0]. Symmetry operators: i x-1, y+1, z+1; ii x+1, y-1, z-1.
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Fap4: Intermolecular contacts, viewed along [0 1 0]. Symmetry operators: i x-1, y+1, z+1; ii x+1, y-1, z-1.


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

Betz R, Gerber T, Hosten E, Samshuddin S, Narayana B, Sarojini BK - Acta Crystallogr Sect E Struct Rep Online (2012)

Intermolecular contacts, viewed along [0 1 0]. Symmetry operators: i x-1, y+1, z+1; ii x+1, y-1, z-1.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3275226&req=5

Fap4: Intermolecular contacts, viewed along [0 1 0]. Symmetry operators: i x-1, y+1, z+1; ii x+1, y-1, z-1.
Bottom Line: 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 π-π 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⋯π [F⋯centroid = 3.4017 (16) Å], C-H⋯F and C-H⋯π inter-actions.

View Article: PubMed Central - HTML - PubMed

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 π-π 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⋯π [F⋯centroid = 3.4017 (16) Å], C-H⋯F and C-H⋯π inter-actions.

No MeSH data available.


Related in: MedlinePlus