Capecitabine from X-ray powder synchrotron data

In the title compound [systematic name 5-de­oxy-5-fluoro-N-(pent­yloxycarbon­yl)cytidine], C(15)H(22)FN(3)O(6), 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...

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Detalles Bibliográficos
Autores principales: Rohlicek, Jan, Husak, Michal, Gavenda, Ales, Jegorov, Alexandr, Kratochvil, Bohumil, Fitch, Andy
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969674/
https://www.ncbi.nlm.nih.gov/pubmed/21583180
http://dx.doi.org/10.1107/S1600536809017905
Descripción
Sumario:In the title compound [systematic name 5-de­oxy-5-fluoro-N-(pent­yloxycarbon­yl)cytidine], C(15)H(22)FN(3)O(6), 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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