Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1409963 | Journal of Molecular Structure | 2010 | 5 Pages |
Abstract
The crystal and molecular structure of 6-(furfurylamino)-9-(tetrahydropyran-2-yl)purine (1) was determined at 150(2) K. The compound crystallizes in monoclinic P21/c space group with a = 10.5642(2), b = 13.6174(3), c = 10.3742(2) Å, V = 1460.78(5) Å3, Z = 4, R(F) = for 3344 unique reflections. The purine moiety and furfuryl ring are planar and the tetrahydropyran-2-yl is disordered in the ratio 1:3, probably due to the chiral carbon atom C(17). The individual 1H and 13C NMR signals were assigned by 2D correlation experiments such as 1H–1H COSY and ge-2D HSQC. Stability-in-solution was determined in methanol/water in acidic pH (3–7).
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Jan Walla, Lucie Szüčová, Ivana Císařová, Tomáš Gucký, Marek Zatloukal, Karel Doležal, Jarmila Greplová, Frank J. Massino, Miroslav Strnad,