溴（η-1-异丙基-4-甲基苯）（7-氧代环庚-1,3,5-三烯-1-醇根-κ,'）锇的晶体结构
Crystal structure of bromido(η-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-1-olato-κ,')osmium.
作者信息
Clayton Hadley S, Tapala Kgaugelo C, Lemmerer Andreas
机构信息
Chemistry Department, University of South Africa, Pretoria, 0003, South Africa.
Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Private Bag, PO WITS, 2050, Johannesburg, South Africa.
出版信息
Acta Crystallogr E Crystallogr Commun. 2018 Feb 2;74(Pt 3):275-277. doi: 10.1107/S2056989018001391. eCollection 2018 Mar 1.
In the title compound, [OsBr(CH)(CHO)], the central Os ion is ligated by a hexa-haptic η-cymene ring, a Br ligand and two O atoms of a chelating tropolonate group. The -cymene ligand presents more than one conformation, giving rise to a discrete disorder, which was modelled with two different orientations with occupancy values of 0.561 (15) and 0.439 (15). The crystal packing features C-H⋯O and C-H⋯Br hydrogen bonding. Aromatic π-π stacking inter-actions are also observed between adjacent non-benzenoid aromatic tropolone rings.
在标题化合物[OsBr(CH)(CHO)]中，中心Os离子由一个六配位的η-异丙苯环、一个Br配体和螯合的托酚酮基团的两个O原子配位。异丙苯配体呈现不止一种构象，导致离散无序，用两种不同取向进行建模，占有率值分别为0.561 (15)和0.439 (15)。晶体堆积具有C-H⋯O和C-H⋯Br氢键。在相邻的非苯型芳香托酚酮环之间也观察到芳香π-π堆积相互作用。
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