双[1,3-双-(2,4,6-三甲基苯基)-2,3-二氢-1H-咪唑-2-亚基]二氯二硝酰钨(II) 四氢呋喃-d(8) 单溶剂合物
Bis[1,3-bis-(2,4,6-trimethyl-phen-yl)-2,3-dihydro-1H-imidazol-2-yl-idene]dichloridodinitro-syltungsten(II) tetra-hydro-furan-d(8) monosolvate.
作者信息
Fraga-Hernández Javier, Blacque Olivier, Berke Heinz
机构信息
Institut of Inorganic Chemistry, University of Zürich, Winterthurerstrasse 190, 8057 Zürich, Switzerland.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 4;67(Pt 1):m31. doi: 10.1107/S1600536810050099.
The mol-ecular structure of the title compound, [WCl(2)(NO)(2)(C(21)H(24)N(2))(2)]·C(4)D(8)O, displays a distorted octa-hedral arrangement around the W atom with two trans 1,3-bis-(2,4,6-trimethyl-phen-yl)imidazol-2-yl-idene (IMes) carbene ligands in axial positions. The four equatorial positions are occupied by nitrosyl and chloride ligands, which are trans to each other. The C(carbene)-W-C(carbene) bond angle of 173.44 (18)° and the Cl-W-N(nitros-yl) bond angles of 171.34 (11) and 171.32 (13)° deviate only slightly from linearity. The distortion comes from the nitrosyl and chloride ligands which are not fully coplanar since the two N atoms deviate from the WCl(2) plane by -0.279 (4) and 0.272 (4) Å, respectively. An inter-molecular C-H⋯O inter-action connects the organometallic mol-ecule and the tetra-hydro-furan-d(8) solvent mol-ecule.
标题化合物[WCl₂(NO)₂(C₂₁H₂₄N₂)₂]·C₄D₈O的分子结构显示，钨原子周围呈扭曲的八面体排列，两个反式1,3-双（2,4,6-三甲基苯基）咪唑-2-亚基（IMes）卡宾配体处于轴向位置。四个赤道位置被亚硝酰基和氯配体占据，它们彼此反式排列。卡宾碳-钨-卡宾碳键角为173.44 (18)°，氯-钨-亚硝酰基氮键角为分别为171.34 (11)°和171.32 (13)°，仅略微偏离线性。这种扭曲源于亚硝酰基和氯配体并非完全共面，因为两个氮原子分别偏离WCl₂平面-0.279 (4) Å和0.272 (4) Å。分子间的C-H⋯O相互作用将有机金属分子与四氢呋喃-d₈溶剂分子连接起来。
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