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1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-2,3-bis-(pyridin-2-yl)pyrazine (1/1).

ABSTRACT: The components of the title 1:1 co-crystal, C(14)H(10)N(4)·C(6)F(4)I(2), are connected via an N?I [2.959?(4)?Å] halogen bond, in which the N atom is part of the relatively electron-rich pyrazine ring. The C(6)F(4)I(2) mol-ecule is almost planar [r.m.s. deviation = 0.038?Å] but there are significant twists in the pyrazine derivative, as seen in the dihedral angles [31.3?(2) and 54.6?(2)°] formed between the pendant pyridyl rings and the central pyrazine ring. The bimolecular aggregates are sustained in the crystal by C-H?F and ?-? inter-actions [ring centroid(pyrid-yl)-ring centroid(benzene) = 3.678?(3)?Å].

SUBMITTER: Arman HD

PROVIDER: S-EPMC3009248 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-2,3-bis-(pyridin-2-yl)pyrazine (1/1).

Arman Hadi D HD Kaulgud Trupta T Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20101023 Pt 11

The components of the title 1:1 co-crystal, C(14)H(10)N(4)·C(6)F(4)I(2), are connected via an N⋯I [2.959 (4) Å] halogen bond, in which the N atom is part of the relatively electron-rich pyrazine ring. The C(6)F(4)I(2) mol-ecule is almost planar [r.m.s. deviation = 0.038 Å] but there are significant twists in the pyrazine derivative, as seen in the dihedral angles [31.3 (2) and 54.6 (2)°] formed between the pendant pyridyl rings and the central pyrazine ring. The bimolecular aggregates are sustai ...[more]

PMID: 21589066

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