N-(4-Bromophenyl)pyrazine-2-carboxamide
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 ch...
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| Format: | Article |
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International Union of Crystallography
2010
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| _version_ | 1825720118792945664 |
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| author | Ferreira, M.D.L. de Souza, M.V.N. Wardell, S.M.S.V. Wardell, J.L. Tiekink, E.R.T. |
| author_facet | Ferreira, M.D.L. de Souza, M.V.N. Wardell, S.M.S.V. Wardell, J.L. Tiekink, E.R.T. |
| author_sort | Ferreira, M.D.L. |
| collection | UM |
| description | 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]. |
| first_indexed | 2024-03-06T05:30:09Z |
| format | Article |
| id | um.eprints-12015 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T05:30:09Z |
| publishDate | 2010 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | um.eprints-120152019-01-31T04:04:47Z http://eprints.um.edu.my/12015/ N-(4-Bromophenyl)pyrazine-2-carboxamide Ferreira, M.D.L. de Souza, M.V.N. Wardell, S.M.S.V. Wardell, J.L. Tiekink, E.R.T. Q Science (General) 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]. International Union of Crystallography 2010 Article PeerReviewed 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, |
| spellingShingle | Q Science (General) Ferreira, M.D.L. de Souza, M.V.N. Wardell, S.M.S.V. Wardell, J.L. Tiekink, E.R.T. N-(4-Bromophenyl)pyrazine-2-carboxamide |
| title | N-(4-Bromophenyl)pyrazine-2-carboxamide |
| title_full | N-(4-Bromophenyl)pyrazine-2-carboxamide |
| title_fullStr | N-(4-Bromophenyl)pyrazine-2-carboxamide |
| title_full_unstemmed | N-(4-Bromophenyl)pyrazine-2-carboxamide |
| title_short | N-(4-Bromophenyl)pyrazine-2-carboxamide |
| title_sort | n 4 bromophenyl pyrazine 2 carboxamide |
| topic | Q Science (General) |
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