A method for the prediction of the crystal structure of ionic organic compounds - The crystal structures of o-toluidinium chloride and bromide and polymorphism of bicifadine hydrochloride

CrystEngComm

Volumn 6, Issue , 2004, Pages 303-309

  McArdle, Patrick ^a   Gilligan, Karen ^a   Cunningham, Desmond ^a   Dark, Rex ^a   Mahon, Mary ^b  

^a NATIONAL UNIVERSITY OF IRELAND   (Ireland)

^b University of Bath Claverton Down   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BICIFADINE; BROMIDE; CHLORIDE; ORGANIC COMPOUND;

ARTICLE; CALCULATION; CONFORMATION; CRYSTAL STRUCTURE; CRYSTALLIZATION; HEATING; MELTING POINT; PREDICTION; QUANTUM MECHANICS; STRUCTURE ANALYSIS; THERMODYNAMICS;

EID: 16244368457     PISSN: 14668033     EISSN: None     Source Type: Journal    
DOI: 10.1039/b407861f     Document Type: Article

References (22)

1. S. L. Price, Adv. Drug Delivery Rev., 2004, 56, 301.
2. J. Bernstein, J. Phys. D: Appl. Phys, 1993, 26, B66.
3. D. Singhal and W. Curatolo, Adv. Drug Delivery Rev., 2004, 56, 335.
4. S. L. Morissette, Ö. Almarsson, M. L. Peterson, J. F. Remenar, M. J. Read, A. V. Lemmo, S. Ellis, M. J. Cima and C. R. Gardner, Adv. Drug Delivery Rev., 2004, 56, 275.
5. R. I. H. Wang, R. P. Johnson, J. C. M. Lee and E. M. Waite, J. Clin. Pharmacol., 1982, 22, 160.
6. P. McArdle, J. Appl. Crystallogr., 1995, 28, 65.
7. J. R. Holden, Z. Du and H. L. Ammon, J. Comput. Chem., 1993, 14, 422.
8. W. R. Busing, Wmin, a computer program to model molecules and crystals in terms of potential energy functions, 1981, Report ORNL-5747, Oak Ridge National Laboratory, Oak Ridge, TN; see Chem. Abstr. 1981, 95, 103632y.
9. W. R. Busing, Wmin, a computer program to model molecules and crystals in terms of potential energy functions, 1981, Report ORNL-5747, Oak Ridge National Laboratory, Oak Ridge, TN; see Chem. Abstr. 1981, 95, 103632y.
10. A. Granovsky, PC-Gamess 6.4, Moscow State University, 2004.
11. W. D. S. Motherwell, H. L. Ammon, J. D. Dunitz, A. Dzyabchenko, P. Erk, A. Gavezzotti, D. W. M. Hofmann, F. J. J. Leusen, J. P. M. Lommerse, W. T. M. Mooij, S. L. Price, H. A. Scheraga, B. Schweizer, M. U. Schmidt, B. P. van Eijck, P. Verwer and D. E. Williams, Acta Crystallogr., 2002, B58, 647.
12. C. J. Gilmore, G. Barr and J. Paisley, J. Appl. Crystallogr., 2004, 37, 231.
13. M. Tremayne, L. Grice, J. C. Pyatt, C. C. Seaton, B. M. Kariuki, H. H. Y. Tusi, S. L. Price and J. C. Cherryman, J. Am. Chem. Soc., 2004, 126, 7071.
14. H. M. Rietveld, J. Appl. Crystallogr., 1969, 2, 65.
15. A. Burger and R. Ramberger, Mikrochim. Acta, 1979, 259.
16. P. McArdle, K. Gilligan and A. Ryder, manuscript in preparation.
17. P. McArdle and D. Cunningham, J. Appl. Chem., 1998, 31, 826.
18. W. Kabsch, J. Appl. Crystallogr., 1988, 21, 916.
19. G. M. Sheldrick, Shelxs-97, program for crystal structure solution, University of Göttingen, 1997.
20. G. M. Sheldrick, Shelxl-97, program for crystal structure refinement, University of Göttingen, 1997.
21. S. Parsons and B. Gould, Rotax, University of Edinburgh, 2001.
22. R. A. Scott and H. A. Scheraga, J. Chem. Phys., 1965, 42, 2209.