title: The high-anti conformation of 8-aza-1,3-dideaza-2'-deoxyadenosine.
abstract: In the title compound, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzotriazole, C11H14N4O3, the conformation of the N-glycosidic bond is in the high-anti range [chi = -77.1 (4) degrees ] and the 2'-deoxyribofuranose moiety adopts a 2'-endo ((2)E) sugar puckering. The 5'-hydroxyl group is disordered and has conformations ap with gamma = 171.1 (3) degrees [occupation 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.
authors.affiliation: Laboratorium für Organische und Bioorganische Chemie, Institut für Chemie, Universität Osnabrück, Barbarastrasse 7, D-49069 Osnabrück, Germany. fraseela@rz.uni-osnabrueck.de
authors.forename: F
authors.initials: F
authors.lastname: Seela
authors.forename: Y
authors.initials: Y
authors.lastname: He
authors.forename: H
authors.initials: H
authors.lastname: Reuter
authors.forename: E M
authors.initials: EM
authors.lastname: Heithoff
mesh_terms: D000241:Adenosine / Q000031:analogs & derivatives*; D003839:Deoxyadenosines / Q000031:analogs & derivatives / Q000737:chemistry*; D006860:Hydrogen Bonding; D008968:Molecular Conformation
chemical_list: C431301:8-aza-1,3-dideaza-2'-deoxyadenosine; D003839:Deoxyadenosines; D000241:Adenosine