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Ba(SCN) 2 (H 2 O) complex of the cis‐syn‐cis isomer of 2,5,8,15,18,21‐hexaoxatricyclo[20,4,0,0 9,14 ]hexacosane(dicyclohexyl‐18‐crown‐6) [Ba(SCN) 2 (H 2 O)(C 20 H 36 O 6 )]
Author(s) -
Dalley N. Kent,
Sypherd Dirk,
George Rose D.
Publication year - 1984
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570210245
Subject(s) - chemistry , cis–trans isomerism , bond length , trans effect , crystal structure , ligand (biochemistry) , stereochemistry , hydrogen bond , crystal (programming language) , crystallography , molecule , organic chemistry , receptor , biochemistry , computer science , programming language
Abstract The structure of the title compound has been redetermined. Hydrogenation of dibenzo‐18‐crown‐6 yields two conformational isomers which were proposed to be the cis‐syn‐cis and the cis‐trans‐cis isomers of dicyclohexyl‐18‐crown‐6. The previous study had established that the title complex contains the ligand which has the cis‐syn‐cis conformation but had resulted in some inaccurate bond lengths and also in an uncertainty regarding the presence of a water of hydration in the crystal. This study confirmed the report of the general conformation of the complex, resulted in more precise bond lengths and clearly established that a water of hydration was present at the crystal.