Determination of the crystal structure of a new polymorph of theophylline

Chemistry - A European Journal

Volumn 19, Issue 24, 2013, Pages 7883-7888

  Eddleston, Mark D ^a   Hejczyk, Katarzyna E ^a   Bithell, Erica G ^a   Day, Graeme M ^a,b   Jones, William ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

Author keywords

analytical methods; computational chemistry; electron diffraction; electron microscopy; polymorphism; structure elucidation

Indexed keywords

ANALYTICAL METHOD; CRYSTAL STRUCTURE DETERMINATION; CRYSTAL STRUCTURE PREDICTION; DIFFRACTION MEASUREMENTS; ELECTRON-DIFFRACTION PATTERNS; HIGH MAGNIFICATIONS; PHARMACEUTICAL COMPOUNDS; STRUCTURE ELUCIDATION;

COMPUTATIONAL CHEMISTRY; CRYSTALLITES; ELECTRON DIFFRACTION; ELECTRON MICROSCOPY; POLYMORPHISM; TRANSMISSION ELECTRON MICROSCOPY;

CRYSTAL STRUCTURE;

THEOPHYLLINE;

ARTICLE; CHEMISTRY; ELECTRON; METHODOLOGY; TRANSMISSION ELECTRON MICROSCOPY;

ELECTRONS; MICROSCOPY, ELECTRON, TRANSMISSION; THEOPHYLLINE;

EID: 84878592573     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201204369     Document Type: Article

References (28)

1. J. Bernstein, Cryst. Growth Des. 2011, 11, 632-650
2. J. Haleblian, W. McCrone, J. Pharm. Sci. 1969, 58, 911-929
3. G. P. Stahly, Cryst. Growth Des. 2007, 7, 1007-1026.
4. D. Singhal, W. Curatolo, Adv. Drug Delivery Rev. 2004, 56, 335-347.
5. J. Bauer, S. Spanton, R. Henry, J. Quick, W. Dziki, W. Porter, J. Morris, Pharm. Res. 2001, 18, 859-866.
6. D. Braga, F. Grepioni, L. Maini, Chem. Commun. 2010, 46, 6232-6242
7. J. Bernstein, in Engineering of Crystalline Materials Properties (Eds.:, J. J. Novoa, D. Braga, L. Addadi,), Springer, Dordrecht (The Netherlands), 2008, pp. 87-109.
8. M. D. Eddleston, K. E. Hejczyk, E. G. Bithell, G. M. Day, W. Jones, Chem. Eur. J. 2013, 19, 7874-7882.
9. G. M. Day, Crystallogr. Rev. 2011, 17, 3-52.
10. L. Seton, D. Khamar, I. J. Bradshaw, G. A. Hutcheon, Cryst. Growth Des. 2010, 10, 3879-3886.
11. C. Roy, A. Vega-Gonzalez, P. Subra-Paternault, Int. J. Pharm. 2007, 343, 79-89.
12. M. D. Eddleston, E. G. Bithell, W. Jones, J. Pharm. Sci. 2010, 99, 4072-4083.
13. E. D. L. Smith, R. B. Hammond, M. J. Jones, K. J. Roberts, J. B. O. Mitchell, S. L. Price, R. K. Harris, D. C. Apperley, J. C. Cherryman, R. Docherty, J. Phys. Chem. B 2001, 105, 5818-5826
14. Y. Ebisuzaki, P. D. Boyle, J. A. Smith, Acta Crystallogr. C 1997, 53, 777-779
15. D. Khamar, R. G. Pritchard, I. J. Bradshaw, G. A. Hutcheon, L. Seton, Acta Crystallogr. C 2011, 67, o 496 -o 499.
16. S. N. Campbell Roberts, A. C. Williams, I. M. Grimsey, S. W. Booth, J. Pharm. Biomed. Anal. 2002, 28, 1149-1159
17. D. Giron, Am. Pharm. Rev. 2008, 11, 68-71.
18. S. L. Price, M. Leslie, G. W. A. Welch, M. Habgood, L. S. Price, P. G. Karamertzanis, G. M. Day, Phys. Chem. Chem. Phys. 2010, 12, 8478-8490.
19. D. A. Bardwell, C. S. Adjiman, Y. A. Arnautova, E. Bartashevich, S. X. M. Boerrigter, D. E. Braun, A. J. Cruz-Cabeza, G. M. Day, R. G. Della Valle, G. R. Desiraju, B. P. van Eijck, J. C. Facelli, M. B. Ferraro, D. Grillo, M. Habgood, D. W. M. Hofmann, F. Hofmann, K. V. J. Jose, P. G. Karamertzanis, A. V. Kazantsev, J. Kendrick, L. N. Kuleshova, F. J. J. Leusen, A. V. Maleev, A. J. Misquitta, S. Mohamed, R. J. Needs, M. A. Neumann, D. Nikylov, A. M. Orendt, R. Pal, C. C. Pantelides, C. J. Pickard, L. S. Price, S. L. Price, H. A. Scheraga, J. van de Streek, T. S. Thakur, S. Tiwari, E. Venuti, I. K. Zhitkov, Acta Crystallogr. B 2011, 67, 535-551.
20. G. M. Day, A. V. Trask, W. D. S. Motherwell, W. Jones, Chem. Commun. 2006, 54-56
21. J.-O. Henck, J. Bernstein, A. Ellern, R. Boese, J. Am. Chem. Soc. 2001, 123, 1834-1841
22. J. D. Dunitz, J. Bernstein, Acc. Chem. Res. 1995, 28, 193-200.
23. I. D. H. Oswald, D. R. Allan, G. M. Day, W. D. S. Motherwell, S. Parsons, Cryst. Growth Des. 2005, 5, 1055-1071.
24. J.-B. Arlin, L. S. Price, S. L. Price, A. J. Florence, Chem. Commun. 2011, 47, 7074-7076.
25. P. G. Karamertzanis, C. C. Pantelides, J. Comput. Chem. 2005, 26, 304-324.
26. A. V. Kazantsev, P. G. Karamertzanis, C. S. Adjiman, C. C. Pantelides, J. Chem. Theory Comput. 2011, 7, 1998-2016.
27. D. S. Coombes, S. L. Price, D. J. Willock, M. Leslie, J. Phys. Chem. 1996, 100, 7352-7360.
28. A. J. Stone, M. Alderton, Mol. Phys. 1985, 56, 1047-1064.