Crystal structure of the 1:2 molecular complex between thecis-anti-cis isomer of dicyclohexano-18-crown-6 and 3-chloro-6-methylbenzenesulphamide View Full Text


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Article Info

DATE

1994-06

AUTHORS

Gabriele Bocelli, Andrea Cantoni, Yurii A. Simonov, Marina S. Fonari, Edward V. Ganin

ABSTRACT

Reaction of thecis-anti-cis isomer of dicyclohexano-18-crown-6 with a mixture of 2-chloro-5-methylbenzenesulphamide and 3-chloro-6-methylbenzenesulphamide gives a crystalline product which has been characterized using X-ray crystallography. The complex (I) contains both isomers in a 83.0 (0.6):17.0 (0.6) ratio in favour of the 3-chloro-6-methyl-isomer. The joint crystallization of the crown ether with the mixture of the guest isomers might serve as a route for the partial extraction of one of them. The complex with host: guest ratio 1:2 crystallizes in a triclinic space group,a=13.087(4),b=9.217(2),c=8.120(2) Å, α=92.05(3),β=100.52(3), γ=80.64(2)°, withZ=1. The structure was refined toR=0.041. Each of two equivalent guest molecules interacts with the macrocyclic ring by two NH...O hydrogen bonds, with N...O distances of 2.912(5) and 3.040(5) Å. More... »

PAGES

105-114

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf00709334

DOI

http://dx.doi.org/10.1007/bf00709334

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1022309263


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