二氯代-{4-[(E)-(甲氧基亚氨基-κN)甲基]-1,3-噻唑-2-胺-κN(3)}钯(II)的晶体结构
Crystal structure of di-chlorido-{4-[(E)-(meth-oxy-imino-κN)meth-yl]-1,3-thia-zol-2-amine-κN (3)}palladium(II).
作者信息
Dyakonenko Viktorita V, Zholob Olga O, Orysyk Svitlana I, Pekhnyo Vasily I
机构信息
State Scientific "Institution Institute for Single Crystals", National Academy of Science of Ukraine, 60 Lenina ave., Kharkiv 61001, Ukraine.
V.I. Vernadskii Institute of General and Inorganic Chemistry, National Academy of Sciences of Ukraine, 03680 Kyiv, Ukraine.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):m10-1. doi: 10.1107/S2056989014026619.
In the title compound, [PdCl2(C5H7N3OS)], the Pd(II) atom adopts a distorted square-planar coordination sphere defined by two N atoms of the bidentate ligand and two Cl atoms. The mean deviation from the coordination plane is 0.029 Å. The methyl group is not coplanar with the plane of the metallacycle [torsion angle C-O-N-C = 20.2 (4)°]. Steric repulsion between the methyl group and atoms of the metallacycle is manifested by shortened intra-molecular H⋯C contacts of 2.27, 2.38 and 2.64 Å, as compared with the sum of the van der Waals radii of 2.87 Å. The amino group participates via one H atom in the formation of an intra-molecular N-H⋯Cl hydrogen bond. In the crystal, the other H atom of the amino group links mol-ecules via bifurcated N-H⋯(Cl,O) hydrogen bonds into chains parallel to [001].
在标题化合物[PdCl₂(C₅H₇N₃OS)]中，Pd(II)原子采用由双齿配体的两个N原子和两个Cl原子定义的扭曲平面正方形配位环境。与配位平面的平均偏差为0.029 Å。甲基与金属环平面不共面[扭转角C-O-N-C = 20.2 (4)°]。甲基与金属环原子之间的空间排斥表现为分子内H⋯C接触缩短至2.27、2.38和2.64 Å，而范德华半径之和为2.87 Å。氨基通过一个H原子参与形成分子内N-H⋯Cl氢键。在晶体中，氨基的另一个H原子通过分叉的N-H⋯(Cl,O)氢键将分子连接成平行于[001]的链。
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