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Crystal Structure of η 3 ‐lithio‐1,3,3‐triphenylpropyne‐(diethyl ether) 2 and [1‐lithio‐1‐(2‐methoxyphenyl)‐3,3‐diphenylallene–diethyl ether] 2 : Propargyl‐ versus allenyl‐type structures
Author(s) -
Dem'yanov Piotr,
Boche Gernot,
Marsch Michael,
Harms Klaus,
Fyodorova Galina,
Petrosyan Valery
Publication year - 1995
Publication title -
liebigs annalen
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 0947-3440
DOI - 10.1002/jlac.199519950361
Subject(s) - propargyl , diethyl ether , chemistry , ether , crystal structure , type (biology) , double bond , medicinal chemistry , crystallography , stereochemistry , organic chemistry , catalysis , ecology , biology
Crystal structure investigations reveal that η 3 ‐lithio‐1,3,3‐triphenylpropyne‐(diethyl ether) 2 [ 6 · (OEt 2 ) 2 ] is of the propargyl structural type while [1‐lithio‐1‐(2‐methoxyphenyl)‐3,3‐diphenylallene‐(diethyl ether)] 2 {[ 7 · OEt 2 ] 2 } is of the allenyl type. The assignment of the different structural types is mainly based on a comparison of the bond lengths C1‐C2 and C2‐C3 as well as of the difference ΔCC of these two bond lengths with the corresponding values of theoretical models of the propargyl and allenyl type. This leads also to a correction of an earlier assigned structural type.