A new polymorph of 5-fluorouracil found following computational crystal structure predictions

Journal of the American Chemical Society

Volumn 127, Issue 4, 2005, Pages 1116-1117

  Hulme, Ashley T ^a   Price, Sarah L ^a   Tocher, Derek A ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

5 BROMOURACIL; 5 CHLOROURACIL DERIVATIVE; DIMETHYL SULFOXIDE; DIOXANE; FLUOROURACIL; N,N DIMETHYLFORMAMIDE; NITROMETHANE; THYMINE;

AB INITIO CALCULATION; ARTICLE; CRYSTAL STRUCTURE; CRYSTALLIZATION; ELECTRICITY; HYDROGEN BOND; LOW TEMPERATURE; SOLID TUMOR; THERMODYNAMICS; X RAY DIFFRACTION;

ANTIMETABOLITES, ANTINEOPLASTIC; CRYSTALLIZATION; FLUOROURACIL; HYDROGEN BONDING; MODELS, CHEMICAL;

EID: 13644262207     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja044336a     Document Type: Article

References (19)

1. Heidelberger, C.; Chaudhuri, N. K.; Danneberg, P.; Mooren, D.; Griesbach, L. Nature 1957, 179, 663-669.
2. (a) British National Formulary; British Medical Association and the Royal Pharmaceutical Society of Great Britain: London, U.K., 2003.
3. (b) Grem, J. L. Invest. New Drugs 2000, 18, 299-313.
4. Fallon, L., III. Acta Crystallogr. 1973, B29, 2549-2556.
5. Holden, J. R.; Du, Z.; Ammon, H. L. J. Comput. Chem. 1993, 14, 422-437.
6. Willock, D. J.; Price, S. L.; Leslie, M.; Catlow, C. R. A. J. Comput. Chem. 1995, 16, 628-647.
7. (a) Williams, D. E.; Weller, R. R. J. Am. Chem. Soc. 1983, 105, 4143-4148.
8. (b) Williams, D. E.; Cox, S. R. Acta Crystallogr. 1984, B40, 404-417.
9. (c) Coombes, D. S.; Price, S. L.; Willock, D. J.; Leslie, M. J. Phys. Chem. 1996, 100, 7352-7360.
10. Williams, D. E.; Houpt, D. J. Acta Crystallogr. 1986, B42, 286-295.
11. (a) Hulme A. T.; Tocher, D. A. Acta Crystallogr., Sect. E 2004, 60, o1781-o1782.
12. (b) Hulme A. T.; Tocher, D. A. Acta Crystallogr., Sect. E 2004, 60, o1783-o1785.
13. (c) Hulme A. T.; Tocher, D. A. Acta Crystallogr., Sect. E 2004, 60, o1786-o1787.
14. Watkin, D. J.; Prout, C. K.; Pearce, L. J. CAMERON; University of Oxford: Oxford, U.K., 1996.
15. Sternglanz, H.; Bugg, C. E. Biochim. Biophys. Acta 1975, 378, 1.
16. Portalone, G.; Bencivenni, L.; Colapietro, M.; Pieretti, A.; Ramondo, F. Acta Chem. Scand. 1999, 53, 57.
17. Choudhury, A. R.; Guru Row, T. N. Cryst. Growth Des. 2004, 4, 47-52.
18. Hamad, S.; Moon, C.; Catlow, C. R. A., in preparation.
19. Cross, W. I.; Blagden, N.; Davey, R. J.; Pritchard, R. G.; Neumann, M. A.; Roberts, R. J.; Rowe, R. C. Cryst. Growth Des. 2003, 3, 151-158.