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Structure of 5-Bromo-2',3'-O-isopropylideneuridine, C12H15BrN206

Gautham, N and Seshadri, TP and Viswamitra, MA (1983) Structure of 5-Bromo-2',3'-O-isopropylideneuridine, C12H15BrN206. In: Acta Crystallographica Section C., C39 . pp. 456-458.

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Mr= 363.17, orthorhombic, P21212 ~, a= 5.251(4), b=14.962(5), c=19.112(5)A, U= 1501.41/k 3, Z=4, Dx=1.61Mgm -3, /t(CuKa)= 3.02 mm -1, 2(Cu Ka)= 1.5418/~, final R = 7.0% for 1091 reflections with Fo> 2e(Fo). The glycosidic torsion angle ZCN is 13"1 (12) °. The ribose has a C (3')-exo,C (4)-endo twist geometry. The dioxolane ring assumes an envelope conformation with 0(3') displaced by 0.453 (10)/k from the plane of the other four atoms. The conformation about the C(4')-C(5') bond is gauche-gauche. The structure is stabilized by two hydrogen bonds between screw-axis-related molecules. The crystal packing and the conformation of the molecule are very similar to those found in the structure of 2',3'-O-isopropylideneuridine which lacks the Br atom at the 5-position.

Item Type: Journal Article
Publication: Acta Crystallographica Section C.
Publisher: International Union of Crystallography
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Biological Sciences > Microbiology & Cell Biology
Date Deposited: 04 Feb 2010 05:25
Last Modified: 19 Sep 2010 05:34
URI: http://eprints.iisc.ac.in/id/eprint/20819

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