N-(4-Bromo-phen-yl)pyrazine-2-carbox-amide.

ABSTRACT: The mol-ecule of the title compound, C(11)H(8)BrN(3)O, is close to planar (r.m.s. deviation of all 16 non-H atoms = 0.103 Å), a conformation stabilized by an intra-molecular N-H⋯N hydrogen bond, which generates an S(5) ring. In the crystal structure, supra-molecular chains mediated by C-H⋯O contacts (along a) are linked into a double layer via N⋯Br halogen bonds [3.207 (5) Å] and C-Br⋯π inter-actions [Br⋯ring centroid(pyrazine) = 3.446 (3) Å]. The layers stack along the b axis via weak π-π inter-actions [ring centroid(pyrazine)⋯ring centroid(benzene) distance = 3.803 (4) Å].

SUBMITTER: de Lima Ferreira M 

PROVIDER: S-EPMC3009118 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature