Azinylsulfides. Part XV. X‑Ray Structure and NMR Assignment of 3,4‑Dimethylthioquinoline
1991 (English)In: Journal of crystallographic and spectroscopic research, ISSN 0277-8068, Vol. 21, no 5, 559-565 p.Article in journal (Refereed) Published
The title compound (C11H11NS2) is monoclinic:P21/c,a=15.200(4),b=14.644(4),c=10.098(3),Z=8. The structure was solved by direct methods, and refined to anR value of 0.047 with 2886 independent reflections. There are two nonequivalent molecules in the unit cell. BothS-methyl groups have different spatial orientation: the B-methyl group side-chain is approximately coplanar with the pyridine ring and turned to the ortho-position, but r-methyl group side-chain is turned over this ring. Both1H and13C NMR spectra were assigned using 1D and 2D experiments. The NOE measurements are consistent with inter-proton distances from X-ray data.
Place, publisher, year, edition, pages
1991. Vol. 21, no 5, 559-565 p.
IdentifiersURN: urn:nbn:se:uu:diva-140721DOI: 10.1007/BF01161077OAI: oai:DiVA.org:uu-140721DiVA: diva2:384259