Open AccessThe crystal and molecular structure of 8,2'‐cycloadenosine trihydrate
Author(s) -
Neidle S.,
Taylor G. L.,
Cowling P. C.
Publication year - 1979
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
eISSN - 1600-5740
pISSN - 0567-7408
DOI - 10.1107/s0567740879004490
Subject(s) - crystallography , crystal structure , materials science , crystal (programming language) , chemistry , computer science , programming language
8,2'-Cycloadenosine, C IoHi~NsO4.3H20, is a modified arabinosyladenosine nucleoside which has been cyclized at the C(8) and 0(2') atoms. THe trihydrate crystallizes in the orthorhombic space group P2~2~2~, with a = 8.680 (2), b = 5.991 (2), c = 27.203 (4) A, Z = 4. The structure was refined to R = 0.0672 for 1411 unique reflections, photographically recorded. The arabinofuranose ring has a flattened C(4')-endo-C(3')- exo pucker. The conformation about C(4')-C(5') is gauche-gauche, and that about the sugar-base bond is high anti. The crystal structure involves extensive base-base hydrogen bonding, N(1), N(6) and N(7) all being participants.