（E）-3-（4-氯苯基）-3-[3-（4-氯苯基）-1H-吡唑-1-基]丙-2-烯醛

Susindran V, Athimoolam S, Bahadur S Asath, Manikannan R, Muthusubramanian S

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 18;66(Pt 10):o2594-5. doi: 10.1107/S1600536810035646.

In the title compound, C(18)H(12)Cl(2)N(2)O, the pyrazole ring is almost planar [r.m.s. deviation = 0.002 Å] while the two chloro-phenyl rings are twisted out from the plane of the pyrazole ring, making dihedral angles of 5.3 (1) and 65.34 (4)°. In the crystal, centrosymmetric R(2) (2)(24) dimers are formed about crystallographic inversion centres through a pair of C-H⋯Cl inter-actions. These dimers are further linked through a C-H⋯O hydrogen bond, forming a C(8) chain extending along the a axis. C-H⋯π inter-actions are also observed.

在标题化合物C₁₈H₁₂Cl₂N₂O中，吡唑环几乎是平面的[r.m.s.偏差 = 0.002 Å]，而两个氯苯环从吡唑环平面扭转出来，形成的二面角分别为5.3 (1)°和65.34 (4)°。在晶体中，通过一对C—H⋯Cl相互作用，围绕晶体学倒转中心形成了中心对称的R₂²(24)二聚体。这些二聚体通过C—H⋯O氢键进一步连接，形成沿a轴延伸的C₈链。还观察到C—H⋯π相互作用。