Chantrapromma Suchada, Fun Hoong-Kun, Suwunwong Thitipone, Padaki Mahesh, Isloor Arun M
Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 9;66(Pt 1):o79-80. doi: 10.1107/S1600536809051861.
The mol-ecule of the title nicotinonitrile derivative, C(22)H(19)BrN(2)O(2), is non-planar, the central pyridine ring making dihedral angles of 7.34 (14) and 43.56 (15)° with the 4-bromo-phenyl and 4-ethoxy-phenyl rings, respectively. The eth-oxy group of the 4-ethoxy-phenyl is slightly twisted from the attached benzene ring [C-O-C-C = 174.2 (3)°], whereas the eth-oxy group attached to the pyridine ring is in a (+)syn-clinal conformation [C-O-C-C = 83.0 (3)°]. A weak intra-molecular C-H⋯N inter-action generates an S(5) ring motif. In the crystal structure, the mol-ecules are linked by weak inter-molecular C-H⋯N inter-actions into screw chains along the b axis. These chains stacked along the a axis. π-π inter-actions with centroid-centroid distances of 3.8724 (16) and 3.8727 (16) Å are also observed.
标题烟腈衍生物C(22)H(19)BrN(2)O(2)的分子是非平面的，中心吡啶环与4-溴苯基和4-乙氧基苯基环分别形成7.34 (14)°和43.56 (15)°的二面角。4-乙氧基苯基的乙氧基与相连的苯环略有扭曲[C-O-C-C = 174.2 (3)°]，而连接到吡啶环上的乙氧基处于(+)顺式构象[C-O-C-C = 83.0 (3)°]。一个弱的分子内C-H⋯N相互作用产生一个S(5)环 motif。在晶体结构中，分子通过弱的分子间C-H⋯N相互作用沿b轴连接成螺旋链。这些链沿a轴堆积。还观察到质心间距为3.8724 (16)和3.8727 (16) Å的π-π相互作用。
