The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine

Acta Crystallographica Section A: Foundations of Crystallography

Volumn 60, Issue 5, 2004, Pages 480-487

  Overgaard, Jacob ^a   Hibbs, David E ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIULCER AGENT; FAMOTIDINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRICITY; X RAY CRYSTALLOGRAPHY;

ANTI-ULCER AGENTS; CRYSTALLOGRAPHY, X-RAY; ELECTROSTATICS; FAMOTIDINE; MODELS, MOLECULAR; MOLECULAR STRUCTURE;

EID: 19744374859     PISSN: 01087673     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108767304017891     Document Type: Article

References (35)

1. Abramov, Y. A., Volkov, A., Wu, G. & Coppens, P. (2000). Acta Cryst. A56, 585-591.
2. Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-S9.
3. Bader, R. F. W. (1990). Atoms in Molecules. A Quantum Theory. New York: Oxford University Press.
4. Bader, R. F. W., Caroll, M. T., Cheeseman, J. R. & Chang, C. (1987). J. Am. Chem. Soc. 109, 7968.
5. Blessing, R. H. (1997). J. Appl. Cryst. 30, 421-426.
6. Brimblecombe, R. W., Duncan, W. A., Durant, G. J., Ganellin, C. R., Parsons, M. E. & Black, J. W. (1975). Br. J. Pharmacol. 53, 435-436.
7. Bruker (1998). SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
8. Clementi, E. & Roetti, C. (1974). At. Data Nucl. Data Tables, 14, 177-478.
9. El Haouzi, A., Hansen, N. K., Le Henaff, C. & Protas, J. (1996). Acta Cryst. A52, 291-301.
10. Espinosa, E., Molins, E. & Lecomte, C. (1997). Phys. Rev. B, 56, 1820-1833.
11. Ferenczy, G. G., Párkányi, L., Ángyán, J. G., Kálmán, A. & Hegedus, B. (2000). J. Mol. Struct. (Theochem), 503, 73-79.
12. Figgis, B. N., Iversen, B. B., Larsen, F. K. & Reynolds, P. A. (1993). Acta Cryst. B49, 794-806.
13. Gatti, C., Destro, R. & May, E. (2001). J. Am. Chem. Soc. 123, 12248-12254.
14. Gedeon Richter Ltd (1986). European Patent 0 256 747.
15. Gopalan, R. S., Kulkarni, G. U. & Rao, C. N. R. (2000). ChemPhysChem, 1, 127-135.
16. Hambley, T. W., Hibbs, D. E., Turner, P., Howard, S. T. & Hursthouse, M. B. (2002). J. Chem. Soc. Perkin Trans. 2, pp. 235-239.
17. Hansen, N. K. & Coppens, P. (1978). Acta Cryst. A34, 909-921.
18. Hegedus, B., Bod, P., Harsányi, K., Peter, I., Kálmán, A. & Párkányi, L. (1989). J. Pharm. Biomed. Anal. 7, 563.
19. Hibbs, D. E., Austin-Woods, C. J., Platts, J. A., Overgaard, J. & Turner, P. (2003). Chem. Eur. J. 9, 1075-1084.
20. Hibbs, D. E., Overgaard, J., Platts, J. A., Waller, M. P. & Hursthouse, M. B. (2004). J. Phys. Chem. B, 108, 3663-3672.
21. Hirshfeld, F. L. (1976). Acta Cryst. A32, 239-244.
22. Koritsanszky, T., Howard, S. T., Macchi, P., Gatti, C., Farrugia, L. J., Mallinson, P. R., Volkov, A., Su, Z., Richter, T. & Hansen, N. K. (2003). XD. A Computer Program Package for Multipole Refinement and Analysis of Charge Densities from X-ray Diffraction Data, Free University of Berlin, Germany.
23. Kulkarni, G. U., Gopalan, R. S. & Rao, C. N. R. (2000). J. Mol. Struct. (Theochem), 500, 339-362.
24. Kulkarni, G. U., Kumaradhas, P. & Rao, C N. R. (1998). Chem. Mater. 10, 3498-3505.
25. Leusser, D., Henn, J., Kocher, N., Engels, B. & Stalke, D. (2004). J. Am. Chem. Soc. 126, 1781-1793.
26. Leusser, D., Walfort, B. & Stalke, D. (2002). Angew. Chem. Int. Ed. Engl. 42, 2079-2082.
27. Macchi, P., Proserpio, D. M. & Sironi, A. (1998). J. Am. Chem. Soc. 120, 13429-13435.
28. McCormack, K. L., Mallinson, P. R., Webster, B. C. & Yufit, D. S. (1996). J. Chem. Soc. Faraday Trans. 96, 1709-1716.
29. Pillet, S., Souhassou, M., Pontillon, Y., Caneschi, A., Gatteschi, D. & Lecomte, C. (2001). New J. Chem. 25, 131-143.
30. Politzer, P. & Murray, J. S. (2002). Theo. Chem. Acc. 108, 134.
31. Scherer, W., Spiegler, M., Pedersen, B., Tafipolsky, M., Hieringer, W., Reinhard, B., Downs, A. J. & McGrady, G. S. (2000). Chem. Commun. pp. 635-636.
32. Sheldrick, G. M. (1997). SHELX97, Programs for Crystal Structure Analysis (Release 97-2). University of Göttingen, Germany.
33. Spasojevic de Bire, A., Bouhmaida, N., Kremenovic, A., Morgant, G. & Ghermani, N. E. (2002). J. Phys. Chem. A, 106, 12170.
34. Volkov, A., Gatti, C., Abramov, Yu. A. & Coppens, P. (2000). Acta Cryst. A56, 252.
35. Whitten, A. E., Dittrich, B., Spackman, M. A., Turner, P. & Brown, T. C. (2004). Dalton Trans. pp. 23-29.