Salam Md Abdus, Affan Md Abu, Ahmad Fasihuddin B, Tahir M Ibrahim Mohamed, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 6;66(Pt 12):m1503-4. doi: 10.1107/S1600536810044247.
The Sn(IV) atom in the title compound, [Sn(C(6)H(5))(C(14)H(19)N(4)S)Cl(2)], exists within a distorted octa-hedral geometry defined by the N,N',S-tridentate monodeprotonated Schiff base ligand, two mutually trans Cl atoms, and the ipso-C atom of the Sn-bound phenyl group; the latter is trans to the azo-N atom. The greatest distortion from the ideal geometry is found in the nominally trans angle formed by the S and pyridyl-N atoms at Sn [151.03 (4)°]. With the exception of the cyclo-hexyl group (chair form), the Schiff base ligand is almost planar (r.m.s. deviation of non-H and Sn atoms = 0.053 Å). The nearly orthogonal orientation of the Sn-bound phenyl group [N-Sn-C-C torsion angle = 70.8 (5)°] to the planar portion of the Schiff base allows for the formation of significant intra-molecular C-H⋯Cl inter-actions which preclude the Cl atoms from participating in N-H⋯Cl hydrogen bonds. Instead, C-H⋯π contacts, involving methyl-ene H and the Sn-bound phenyl group, lead to the formation of supra-molecular chains that pack in the bc plane. Connections between these layers are of the type C-H⋯Cl.
在标题化合物[Sn(C₆H₅)(C₁₄H₁₉N₄S)Cl₂]中，Sn(IV)原子存在于由N,N',S-三齿单去质子化席夫碱配体、两个相互呈反式的Cl原子以及与Sn相连的苯基的本位C原子所定义的扭曲八面体几何构型中；后者与偶氮-N原子呈反式。从理想几何构型的最大扭曲出现在Sn处由S和吡啶基-N原子形成的名义上的反式角[151.03 (4)°]。除环己基（椅式构象）外，席夫碱配体几乎是平面的（非H和Sn原子的均方根偏差 = 0.053 Å）。与Sn相连的苯基相对于席夫碱平面部分几乎呈正交取向[N - Sn - C - C扭转角 = 70.8 (5)°]，这使得形成了显著的分子内C - H⋯Cl相互作用，从而阻止Cl原子参与N - H⋯Cl氢键。相反，涉及亚甲基H和与Sn相连的苯基的C - H⋯π接触导致形成在bc平面堆积的超分子链。这些层之间的连接类型为C - H⋯Cl。
