Butcher Ray J, Singh Puspendra, Shabbani Gulam
Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
Department of Chemistry, Dr. Shakuntala Misra National Rehabilitation University, Lucknow, Uttar Pradesh 226017, India.
Acta Crystallogr E Crystallogr Commun. 2022 May 17;78(Pt 6):629-632. doi: 10.1107/S2056989022004960. eCollection 2022 Jun 1.
The structure of a mono-amine Pd complex, [PdCl(CHN)(CHNS)], which crystallizes in the triclinic space group, , is reported. The primary geometry around the Pd atom closely resembles square planar (τ' = 0.069). In the ()-1-(thio-phen-2-yl)--(-tol-yl)methanimine ligand, the phenyl and thio-phene rings are not coplanar, subtending a dihedral angle of 38.5 (1)° because of steric effects. The PdClN coordination plane is almost perpendicular to the planes of the coordinated -toluidine and the NC fragment [dihedral angles of 84.7 (1) and 72.50 (4)°, respectively]. The Pd-NH length of 2.040 (2) Å is slightly shorter than the observed mean value for other complexes involving a Pd atom attached to the nitro-gen of an aniline derivative. The mol-ecules display an inter-esting supra-molecular synthon based on reciprocal inter-molecular N-H⋯Cl hydrogen-bonding inter-actions of the -toluidine amine fragment, which results in centrosymmetric dimeric units. These units are further linked by C-H⋯Cl inter-actions, resulting in chains in the -axis direction where the mean-planes of the repeating fragment are oriented in the (110) plane.
报道了一种单胺钯配合物[PdCl(CHN)(CHNS)]的结构，该配合物结晶于三斜空间群 。钯原子周围的主要几何构型与平面正方形非常相似(τ' = 0.069)。在()-1-(噻吩-2-基)--(-甲苯基)甲亚胺配体中，由于空间效应，苯基和噻吩环不共面，二面角为38.5 (1)°。PdClN配位平面几乎垂直于配位的-甲苯胺和NC片段的平面[二面角分别为84.7 (1)°和72.50 (4)°]。Pd-NH键长为2.040 (2) Å，略短于涉及钯原子与苯胺衍生物氮原子相连的其他配合物的观测平均值。分子基于-甲苯胺胺片段的相互分子间N-H⋯Cl氢键相互作用展示出一种有趣的超分子合成子，这导致形成中心对称的二聚体单元。这些单元通过C-H⋯Cl相互作用进一步连接，在-轴方向形成链，其中重复片段的平均平面在(110)平面内取向。
