6-(4-Bromophenyl)-2-eth-oxy-4-(2,4,5-trimethoxyphenyl)nicotinonitrile
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Date
2010
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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.
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Data-to-parameter ratio = 17.3, Mean ?(C-C) = 0.003 Å, R factor = 0.036, Single-crystal X-ray study, T = 100 K, WR factor = 0.098
Citation
Acta Crystallographica Section E: Structure Reports Online, 2010, 66, 3, pp. o641-o642
