N-(4-Bromophenyl)pyrazine-2-carboxamide
Marcelle de Lima Ferreira, Marcus V. N. de Souza, Solange M. S. V. Wardell and 2 more
Acta Crystallographica Section E · 2010
doi:10.1107/s1600536810039036 (opens in a new tab)
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Abstract
The molecule of the title compound, C11H8BrN3O, is close to planar (r.m.s. deviation of all 16 non-H atoms = 0.103 Å), a conformation stabilized by an intramolecular N—H...N hydrogen bond, which generates an S(5) ring. In the crystal structure, supramolecular 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 interactions [Br...ring centroid(pyrazine) = 3.446 (3) Å]. The layers stack along the b axis via weak π–π interactions [ring centroid(pyrazine)...ring centroid(benzene) distance = 3.803 (4) Å].
Abstract licence: CC BY
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