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3,5-Diphenyl-1,2,4-dithia-zolium tetra-bromidoferrate(III).

Shotonwa IO, Boeré RT - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: The cation of the title salt, (C(14)H(10)NS(2))[FeBr(4)], contains a flat central NC(2)S(2) ring (r.m.s. deviation = 0.005 Å), with two attached phenyl rings that are almost coplanar [the dihedral angles between the mean planes are 2.4 (1) and 7.7 (1)° for the two phenyl rings].The closest contacts are between a phenyl ring centroid of one cation and the ipso C atom of the phenyl ring of another cation, for which the distance is 3.489 Å.The discrete dimers are linked laterally by further Br⋯H short contacts, resulting in double sheets located parallel to the b axis and to the bis-ector of a and c.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Biochemistry, University of Lethbridge, Lethbridge, Alberta, Canada T1K 3M4.

ABSTRACT
The cation of the title salt, (C(14)H(10)NS(2))[FeBr(4)], contains a flat central NC(2)S(2) ring (r.m.s. deviation = 0.005 Å), with two attached phenyl rings that are almost coplanar [the dihedral angles between the mean planes are 2.4 (1) and 7.7 (1)° for the two phenyl rings]. The [FeBr(4)](-) anion makes short Br⋯S contacts [Br⋯S = 3.4819 (8), 3.6327 (9) and 3.5925 (9) Å] and also bridges by way of short contacts to ring H atoms of a second cation held parallel to the first by π-stacking, with a separation between the mean 1,2,4-dithia-zolium rings of 3.409 Å. The closest contacts are between a phenyl ring centroid of one cation and the ipso C atom of the phenyl ring of another cation, for which the distance is 3.489 Å. The discrete dimers are linked laterally by further Br⋯H short contacts, resulting in double sheets located parallel to the b axis and to the bis-ector of a and c.

No MeSH data available.


Related in: MedlinePlus

Short off-center parallel stacking of electron-rich aromatic rings leads to sheets of double layers parallel to b and bisecting the a and c axes; [FeBr4]- anions bridge between the upper and lower double-layer components.
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Fap2: Short off-center parallel stacking of electron-rich aromatic rings leads to sheets of double layers parallel to b and bisecting the a and c axes; [FeBr4]- anions bridge between the upper and lower double-layer components.


3,5-Diphenyl-1,2,4-dithia-zolium tetra-bromidoferrate(III).

Shotonwa IO, Boeré RT - Acta Crystallogr Sect E Struct Rep Online (2013)

Short off-center parallel stacking of electron-rich aromatic rings leads to sheets of double layers parallel to b and bisecting the a and c axes; [FeBr4]- anions bridge between the upper and lower double-layer components.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569193&req=5

Fap2: Short off-center parallel stacking of electron-rich aromatic rings leads to sheets of double layers parallel to b and bisecting the a and c axes; [FeBr4]- anions bridge between the upper and lower double-layer components.
Bottom Line: The cation of the title salt, (C(14)H(10)NS(2))[FeBr(4)], contains a flat central NC(2)S(2) ring (r.m.s. deviation = 0.005 Å), with two attached phenyl rings that are almost coplanar [the dihedral angles between the mean planes are 2.4 (1) and 7.7 (1)° for the two phenyl rings].The closest contacts are between a phenyl ring centroid of one cation and the ipso C atom of the phenyl ring of another cation, for which the distance is 3.489 Å.The discrete dimers are linked laterally by further Br⋯H short contacts, resulting in double sheets located parallel to the b axis and to the bis-ector of a and c.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Biochemistry, University of Lethbridge, Lethbridge, Alberta, Canada T1K 3M4.

ABSTRACT
The cation of the title salt, (C(14)H(10)NS(2))[FeBr(4)], contains a flat central NC(2)S(2) ring (r.m.s. deviation = 0.005 Å), with two attached phenyl rings that are almost coplanar [the dihedral angles between the mean planes are 2.4 (1) and 7.7 (1)° for the two phenyl rings]. The [FeBr(4)](-) anion makes short Br⋯S contacts [Br⋯S = 3.4819 (8), 3.6327 (9) and 3.5925 (9) Å] and also bridges by way of short contacts to ring H atoms of a second cation held parallel to the first by π-stacking, with a separation between the mean 1,2,4-dithia-zolium rings of 3.409 Å. The closest contacts are between a phenyl ring centroid of one cation and the ipso C atom of the phenyl ring of another cation, for which the distance is 3.489 Å. The discrete dimers are linked laterally by further Br⋯H short contacts, resulting in double sheets located parallel to the b axis and to the bis-ector of a and c.

No MeSH data available.


Related in: MedlinePlus