6-(4-Bromophenyl)-2-eth-oxy-4-(2,4,5-trimethoxyphenyl)nicotinonitrile
| dc.contributor.author | Chantrapromma, S. | |
| dc.contributor.author | Fun, H.-K. | |
| dc.contributor.author | Padaki, M. | |
| dc.contributor.author | Suwunwong, T. | |
| dc.contributor.author | Isloor, A.M. | |
| dc.date.accessioned | 2026-02-05T09:36:26Z | |
| dc.date.issued | 2010 | |
| dc.description.abstract | There are two mol-ecules in the asymmetric unit of the title compound, C<inf>23</inf>H<inf>21</inf>BrN<inf>2</inf>O<inf>4</inf>, which differ in the conformation of their ethoxy residues, i.e. almost co-planar with the pyridine ring in one mol-ecule [C - O - C - C = -174.0 (2)°] but almost perpendicular in the other [C - O - C - C = 92.8 (3)°]. The dihedral angles between the central pyridine ring and the 4-bromo-phenyl and 2,4,5-trimethoxy-phenyl rings are 11.05 (12) and 63.78 (12)°, respectively, in one mol-ecule; the corres-ponding angles in the other mol-ecule are 30.38 (13) and 65.38 (13)°, respectively. In the crystal structure, pairs of mol-ecules are arranged in a face-to-face sandwich structure which further stacks along the b axis. The crystal packing features C - H?? inter-actions and Br?O [3.5417 (17) Å], Br?C [3.748 (3) Å], C?N [3.376 (4) Å] and C?O [3.351 (3)-3.409 (3) Å] contacts. Finally, ??? inter-actions [centroid?centroid distances = 3.6346 (19) and 3.6882 (19) Å] are observed. | |
| dc.identifier.citation | Acta Crystallographica Section E: Structure Reports Online, 2010, 66, 3, pp. o641-o642 | |
| dc.identifier.issn | 16005368 | |
| dc.identifier.uri | https://doi.org/10.1107/S1600536810005210 | |
| dc.identifier.uri | https://idr.nitk.ac.in/handle/123456789/27487 | |
| dc.subject | Data-to-parameter ratio = 17.3 | |
| dc.subject | Mean ?(C-C) = 0.003 Å | |
| dc.subject | R factor = 0.036 | |
| dc.subject | Single-crystal X-ray study | |
| dc.subject | T = 100 K | |
| dc.subject | WR factor = 0.098 | |
| dc.title | 6-(4-Bromophenyl)-2-eth-oxy-4-(2,4,5-trimethoxyphenyl)nicotinonitrile |
