The Crystal Structure of (η^5-C_5H_5)Mo(CO)_2[η^3-1,5-C_6H_7(OH)(COCMe_3)]

(η^5-C_5H_5)Mo(CO)_2[η^3-1,5-C_6H_7(OH)(COCMe_3)]化合物的晶體結構解析

王添福(Tein-Fu Wang) ； 聞昱生(Yuh-Sheng Wen)

《中央研究院化學研究所集刊》 41期 (1994/03) Pp. 33-38

https://doi.org/10.6522/BICAS.1994.41.5

摘要

將化合物[(η^5-C_5H_5)Mo(CO)_2(η^4-C_6H_7COCMe_3)]^+CF_3CO_2^-（5）用三乙基胺處理，得到(η^5-C_5H_5)Mo(CO)_2(η^3-C_6H_6COCMe_3)（2）及(η^5-C_5H_5)Mo(CO)_2[η^3-1,5-C_6H_7(OH)(COCMe_3)]（6）等化合物。黃色的錯合物6空間群為P2_1/c, a = 7.733（1）, b = 546（1）, c = 22.059（4）Å, β=97.79（1）°，Z = 4, R = 0.025，R_w = 0.033。因為叔丁基羰立體障礙之影響，使得羥基從間位攻打，而得化合物6。

並列摘要

Treatment of [(η^5-C_5H_5)Mo(CO)_2(η^4-C_6H_7COCMe_3)]^+CF_3CO_2^- (5) with wet triethylamine provided (η^5-C_5H_5)Mo(CO)_2(η^3-C_6H_6COCMe_3) (2) and (η^5-C_5H_5)Mo(CO)_2[η^3-1,5- C_6H_7(OH)(COCMe_3)] (6). The yellow complex 6 was found to crystallize in the monoclinic space group P2_1/c with a = 7.733(1), b = 10.546(2), c = 22.059(4) Å, β = 97.79(1)°, Z = 4, R = 0.025 and R_w = 0.033 for 2011 reflections with 1＞2σ (I) from 2317 unique reflections. Congestive environment of the tert-butyl carbonyl group rendered the hydroxide ion to attack on the meta position was proposed.