Anstey Mitchell R, Bost John L, Grumman Anna S, Kennedy Nicholas D, Whited Matthew T
Department of Chemistry, Davidson College, 405 N Main St, Davidson, North Carolina 28035, USA.
Department of Chemistry, Carleton College, 1 N College St, Northfield, MN 55057, USA.
Acta Crystallogr E Crystallogr Commun. 2020 Mar 17;76(Pt 4):547-551. doi: 10.1107/S2056989020003679. eCollection 2020 Apr 1.
The title compounds, [Mo(CH)(COCH)(CHNP)(CO)], (1), and [Mo(CH)(COCH)(CHNOP)(CH)))(CO)], (2), have been prepared by phosphine-induced migratory insertion from [Mo(CH)(CO)(CH)]. The mol-ecular structures of these complexes are quite similar, exhibiting a four-legged piano-stool geometry with -disposed carbonyl ligands. The extended structures of complexes (1) and (2) differ substanti-ally. For complex (1), the molybdenum acetyl unit plays a dominant role in the organization of the extended structure, joining the mol-ecules into centrosymmetrical dimers through C-H⋯O inter-actions with a cyclo-penta-dienyl ligand of a neighboring mol-ecule, and these dimers are linked into layers parallel to (100) by C-H⋯O inter-actions between the molybdenum acetyl and the cyclo-penta-dienyl ligand of another neighbor. The extended structure of (2) is dominated by C-H⋯O inter-actions involving the carbonyl groups of the acetamide groups of the DAPTA ligand, which join the mol-ecules into centrosymmetrical dimers and link them into chains along [010]. Additional C-H⋯O inter-actions between the molybdenum acetyl oxygen atom and an acetamide methyl group join the chains into layers parallel to (101).
标题化合物[Mo(CH)(COCH)(CHNP)(CO)]（1）和[Mo(CH)(COCH)(CHNOP)(CH)))(CO)]（2）是通过膦诱导[Mo(CH)(CO)(CH)]发生迁移插入反应制备得到的。这些配合物的分子结构非常相似，呈现出一种四足钢琴凳几何构型，羰基配体呈 - 分布。配合物（1）和（2）的扩展结构有很大差异。对于配合物（1），钼乙酰基单元在扩展结构的组织中起主导作用，通过与相邻分子的环戊二烯基配体形成C - H⋯O相互作用，将分子连接成中心对称的二聚体，并且这些二聚体通过钼乙酰基与另一个相邻分子的环戊二烯基配体之间的C - H⋯O相互作用连接成平行于（100）的层。配合物（2）的扩展结构主要由涉及DAPTA配体乙酰胺基团羰基的C - H⋯O相互作用主导，这些相互作用将分子连接成中心对称的二聚体，并沿[010]方向将它们连接成链。钼乙酰基氧原子与乙酰胺甲基之间额外的C - H⋯O相互作用将这些链连接成平行于（101）的层。
