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Capecitabine from X-ray powder synchrotron data

Authors
Journal
Acta Crystallographica Section E Structure Reports Online
1600-5368
Publisher
International Union of Crystallography
Publication Date
Volume
65
Issue
6
Identifiers
DOI: 10.1107/s1600536809017905
Source
legacy-msw
Keywords
  • Organic Papers

Abstract

In the title compound [systematic name 5-de­oxy-5-fluoro-N-(pent­yloxycarbon­yl)cytidine], C15H22FN3O6, the pentyl chain is disordered over two positions with refined occupancies of 0.53 (5) and 0.47 (5). The furan ring assumes an envelope conformation. In the crystal, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into chains propagating along the b axis. The crystal packing exhibits electrostatic inter­actions between the 5-fluoro­pyrimidin-2(1H)-one fragments of neighbouring mol­ecules as indicated by short O⋯C [2.875 (3) and 2.961 (3) Å] and F⋯C [2.886 (3) Å] contacts.

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