Capecitabine from X-ray powder synchrotron data

Capecitabine from X-ray powder synchrotron data

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, inter...

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Main Authors: Jan Rohlicek, Michal Husak, Ales Gavenda, Alexandr Jegorov, Bohumil Kratochvil, Andy Fitch
Format: Article
Language:English
Published: International Union of Crystallography 2009-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809017905
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spelling doaj-1c8ff435ad1d4f9dbe722c1fe6a3c34b2020-11-25T01:35:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-06-01656o1325o132610.1107/S1600536809017905Capecitabine from X-ray powder synchrotron dataJan RohlicekMichal HusakAles GavendaAlexandr JegorovBohumil KratochvilAndy FitchIn 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. http://scripts.iucr.org/cgi-bin/paper?S1600536809017905
collection DOAJ
language English
format Article
sources DOAJ
author Jan Rohlicek
Michal Husak
Ales Gavenda
Alexandr Jegorov
Bohumil Kratochvil
Andy Fitch
spellingShingle Jan Rohlicek
Michal Husak
Ales Gavenda
Alexandr Jegorov
Bohumil Kratochvil
Andy Fitch
Capecitabine from X-ray powder synchrotron data
Acta Crystallographica Section E
author_facet Jan Rohlicek
Michal Husak
Ales Gavenda
Alexandr Jegorov
Bohumil Kratochvil
Andy Fitch
author_sort Jan Rohlicek
title Capecitabine from X-ray powder synchrotron data
title_short Capecitabine from X-ray powder synchrotron data
title_full Capecitabine from X-ray powder synchrotron data
title_fullStr Capecitabine from X-ray powder synchrotron data
title_full_unstemmed Capecitabine from X-ray powder synchrotron data
title_sort capecitabine from x-ray powder synchrotron data
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-06-01
description 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809017905
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AT alesgavenda capecitabinefromxraypowdersynchrotrondata
AT alexandrjegorov capecitabinefromxraypowdersynchrotrondata
AT bohumilkratochvil capecitabinefromxraypowdersynchrotrondata
AT andyfitch capecitabinefromxraypowdersynchrotrondata
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