Structure of a thionucleoside: 5'-deoxy-5',6-epithio-5,6-dihydro-2',3'-O-isopropylidene-3-methyluridine

Gautham, N. ; Ramakrishnan, P. ; Seshadri, T. P. ; Viswamitra, M. A. ; Salisbury, S. A. ; Brown, D. M. (1982) Structure of a thionucleoside: 5'-deoxy-5',6-epithio-5,6-dihydro-2',3'-O-isopropylidene-3-methyluridine Acta Crystallographica Section B, 38 (10). pp. 2707-2709. ISSN 0567-7408

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Official URL: http://scripts.iucr.org/cgi-bin/paper?S05677408820...

Related URL: http://dx.doi.org/10.1107/S0567740882009704

Abstract

C13H18N2OS, Mr=314.35 orthorhombic,P212121, with a=39.526(4), b=6.607(2),c=5.661(2)Å,Z=4, V=1478.36Å3, Dc=1.412 Mgm-3, Cu Kα radiation. Final R = 0·073 for 1154 observed counter reflections. The sulphur atom is in a pseudo-equatorial position with respect to the dihydrouracil ring. The sugar pucker is predominantly O(l')exo unlike the C(3')-exo,C(4'}endo observed for 2'.3'·O·isopropylideneuridine (lSPU). The five­ membered dioxolane ring has C(7) displaced by 0·497 (7) Å from the best plane through atom, 0(2'), C(2'), e(3'), 0(3'), in contrast to ISPU where 0(3') shows the maximum deviation.

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Deposited On:03 Dec 2011 11:25
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