A new polymorph of 5-fluorouracil found following computational crystal structure predictions.
J Am Chem Soc
; 127(4): 1116-7, 2005 Feb 02.
Article
em En
| MEDLINE
| ID: mdl-15669847
ABSTRACT
A new polymorph of 5-fluorouracil has been obtained following a manual polymorph screen inspired by a computational crystal structure prediction search. It corresponds to the structure that was predicted to be the global minimum in lattice energy. The difficulty of crystallizing this simple structure with a rational hydrogen-bonding motif can be rationalized from the differential solvation of the functional groups.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Fluoruracila
Tipo de estudo:
Prognostic_studies
/
Risk_factors_studies
Idioma:
En
Ano de publicação:
2005
Tipo de documento:
Article