N-(4-Bromophenyl)pyrazine-2-carboxamide

Ferreira, M.D.L. and de Souza, M.V.N. and Wardell, S.M.S.V. and Wardell, J.L. and Tiekink, E.R.T. (2010) N-(4-Bromophenyl)pyrazine-2-carboxamide. Acta Crystallographica Section E: Structure Reports Online, 66 (11). O2722-U1773. ISSN 1600-5368,

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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 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].

Item Type: Article
Funders: UNSPECIFIED
Subjects: Q Science > Q Science (General)
Depositing User: Mr Faizal 2
Date Deposited: 14 Jan 2015 02:06
Last Modified: 31 Jan 2019 04:04
URI: http://eprints.um.edu.my/id/eprint/12015

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