N-(4-Bromophenyl)pyrazine-2-carboxamide
Document Type
Article
Publication Date
1-1-2010
Abstract
The molecule of the title compound, C11H8BrN3O, is close to planar (r.m.s. deviation of all 16 non-H atoms = 0.103 angstrom), a conformation stabilized by an intramolecular N-H center dot center dot center dot N hydrogen bond, which generates an S(5) ring. In the crystal structure, supramolecular chains mediated by C-H center dot center dot center dot O contacts (along a) are linked into a double layer via N center dot center dot center dot Br halogen bonds [3.207 (5) angstrom] and C-Br center dot center dot center dot pi interactions [Br center dot center dot center dot ring centroid(pyrazine) = 3.446 (3) angstrom]. The layers stack along the b axis via weak pi-pi interactions [ring centroid(pyrazine)center dot center dot center dot ring centroid(benzene) distance = 3.803 (4) angstrom].
Publication Title
Acta Crystallographica Section E: Structure Reports Online
Volume
66
Issue
11
Publisher
International Union of Crystallography
Publisher Location
COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA