The high-anti conformation of 8-aza-1,3-dideaza-2 '-deoxyadenosine

Citation
F. Seela et al., The high-anti conformation of 8-aza-1,3-dideaza-2 '-deoxyadenosine, ACT CRYST C, 57, 2001, pp. 660-662
Citations number
19
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
0108-2701 → ACNP
Volume
57
Year of publication
2001
Part
5
Pages
660 - 662
Database
ISI
SICI code
0108-2701(200105)57:<660:THCO8'>2.0.ZU;2-I
Abstract
In the title compound, 4-amino-1-(2-deoxy-beta -D-erythro-pentofuranosyl)-1 H-benzotriazole, C11H14N4O3, the conformation of the N-glycosidic bond is i n the high-anti range [chi = - 77.1 (4)degrees] and the 2'-deoxyribofuranos e moiety adopts a 2'-endo ( (2) E) sugar puckering. The 5'-hydroxyl group i s disordered and has conformations ap with gamma = 171.1 (3)degrees [occupa tion of 61.4 (3)%] and +sc with gamma = 52.4 (6)degrees [occupation of 38.6 (3)%]. The nucleobases are stacked in the crystal state.