Abstract

The title compound, C8H8Br4N2, crystallizes in the enanti-omorphic-defining space group P41212 and has a refined Flack x parameter of 0.04 (4). In the asymmetric unit, there are two half-mol-ecules; the whole mol-ecules (A and B) are generated by twofold rotation symmetry. In mol-ecule A, the twofold axis is normal to the pyrazine ring passing through the centre of the ring, while in mol-ecule B, the twofold rotation axis lies in the plane of the pyrazine ring bis-ecting the C-C aromatic bonds. The two mol-ecules are pseudo-mirror images of one another, and the best fit of the two mol-ecules was obtained for inverted mol-ecule B on mol-ecule A, with an r.m.s. deviation of 0.1048 Å and a maximum deviation of any two equivalent atoms of 0.2246 Å. In the crystal, the A mol-ecules are linked by weak C-H⋯Br hydrogen bonds and Br⋯Br inter-actions [3.524 (3) Å], forming a three-dimensional framework. The B mol-ecules are also linked by weak C-H⋯Br hydrogen bonds and Br⋯Br inter-actions [3.548 (3) Å], forming a three-dimensional network that inter-penetrates the network of A mol-ecules.

Highlights

  • In molecule A, the twofold axis is normal to the pyrazine ring passing through the centre of the ring, while in molecule B, the twofold rotation axis lies in the plane of the pyrazine ring bisecting the C—C aromatic bonds

  • The two molecules are pseudo-mirror images of one another, and the best fit of the two molecules was obtained for inverted molecule B on molecule A, with an r.m.s. deviation of 0.1048 Å and a maximum deviation of any two equivalent atoms of 0.2246 Å

  • A molecules are linked by weak C—H Br hydrogen bonds and Br Br interactions [3.524 (3) Å], forming a three-dimensional framework

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Summary

Chemical context

The title compound is the starting material used for the synthesis of a number of 2,3,5,6-tetrakis-substituted pyrazine compounds (Ferigo et al, 1994; Assoumatine, 1999). 2,3,5,6-tetrakis(aminomethyl)pyrazine has been used as a ligand to prepare copper(II), zinc(II) and manganese(II). Binuclear and polymeric complexes (Ferigo et al, 1994)

Structural commentary
Supramolecular features
Synthesis and crystallization
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