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 Å), a conformation stabilized by an intramolecular N—H...N hydrogen bond, which generates an S(5) ring. In the crystal structure, supramolecular...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-11-01
|
| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810039036 |
| id |
doaj-c5f24a5435ac4e1296953f280881de14 |
|---|---|
| record_format |
Article |
| spelling |
doaj-c5f24a5435ac4e1296953f280881de142020-11-25T01:33:28ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-11-016611o2722o272310.1107/S1600536810039036N-(4-Bromophenyl)pyrazine-2-carboxamideMarcelle de Lima FerreiraMarcus V. N. de SouzaSolange M. S. V. WardellJames L. WardellEdward R. T. TiekinkThe 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]. http://scripts.iucr.org/cgi-bin/paper?S1600536810039036 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Marcelle de Lima Ferreira Marcus V. N. de Souza Solange M. S. V. Wardell James L. Wardell Edward R. T. Tiekink |
| spellingShingle |
Marcelle de Lima Ferreira Marcus V. N. de Souza Solange M. S. V. Wardell James L. Wardell Edward R. T. Tiekink N-(4-Bromophenyl)pyrazine-2-carboxamide Acta Crystallographica Section E |
| author_facet |
Marcelle de Lima Ferreira Marcus V. N. de Souza Solange M. S. V. Wardell James L. Wardell Edward R. T. Tiekink |
| author_sort |
Marcelle de Lima Ferreira |
| title |
N-(4-Bromophenyl)pyrazine-2-carboxamide |
| title_short |
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_sort |
n-(4-bromophenyl)pyrazine-2-carboxamide |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2010-11-01 |
| description |
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]. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536810039036 |
| work_keys_str_mv |
AT marcelledelimaferreira n4bromophenylpyrazine2carboxamide AT marcusvndesouza n4bromophenylpyrazine2carboxamide AT solangemsvwardell n4bromophenylpyrazine2carboxamide AT jameslwardell n4bromophenylpyrazine2carboxamide AT edwardrttiekink n4bromophenylpyrazine2carboxamide |
| _version_ |
1725076946679758848 |