Crystal and molecular structure analysis of 4-o-(4-methoxybenzoyl)-2- methyl-N-(2-pyridal)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide from laboratory X-ray powder data

Zeitschrift fur Kristallographie

Volumn 222, Issue 8, 2007, Pages 437-442

  Chakraborty, Santu ^a   Ghosh, Soumen ^a   Cheemala, J Manilla Sagar ^b   Jayaselli, Jagadeesan ^b   Pal, Sarbani ^b   Mukherjee, Alok Kumar ^a  

^a JADAVPUR UNIVERSITY   (India)

^b MNR Post Graduate Colleges Hyderabad   (India)

Author keywords

Ab initio structure analysis; Piroxicam derivative; Powder diffraction structure analysis; Supramolecular network; X ray diffraction

Indexed keywords

EID: 34547569452     PISSN: 00442968     EISSN: None     Source Type: Journal    
DOI: 10.1524/zkri.2007.222.8.437     Document Type: Article

References (36)

1. th ed; (Hardman, J. G.; Limbrid, L. E.; Eds.) McGwar-Hill: New York, (1996) 640-641.
2. Min mouse by piroxicam: kinetics, strain effects and resistance to chemosuppression. Carcinogenesis 20 (1999) 51-58.
3. Sheth, A. R.; Bates, S.; Muller, F. X.; Grant, D. J. W.: Polymorphism in piroxicam. Cryst. Growth Design. 4 (2004) 1091-1098.
4. Vrecer, F.; Srcic, S.; Smid-Korbar, J.: Investigation of piroxicam polymorphism. Int. J. Pharm. 68 (1991) 35-41.
5. Mihalic, M.; Hofman, H.; Kajfez, F.; Kuftinec, J.; Blazevic. N.; Zinic, M.: Physicochemical and analytical characteristics of piroxicam. Acta Pharm. Jugosl. 32 (1982) 13-20.
6. Reck, G.; Dietz, G.; Laban, G.; Gunther, W.; Bannier, G.; Hohne, E.: X-ray studies on piroxicam modifications. Pharmazie. 43 (1988) 477-481.
7. Vrecer, F.; Vrbinc, M.; Meden, A.: Characterization of piroxicam crystal modifications. Int. J. Pharm. 256 (2003) 3-15.
8. 6, 2-benzothiazine-3-carboxamide-1,1-dioxide (piroxicam). Acta Cryst. B38 (1982) 2948-2951.
9. 2O. Acta Cryst. C40 (1984) 989-990.
10. Drebushchak, T. N.; Pankrushina, N. N.; Shakhtshneider, T. P.; Apenina, S. A.: 4-Benzoyloxy-2-methyl-N-(2-pyridal)-2H-1,2-benzothiazine-3- carboxamide1,1-dioxide. Acta Cryst. C62 (2006) o429-o431.
11. Harris, K. D. M.; Tremayne, M.; Lightfoot, P.; Bruce. P. G.: Crystal structure determination from powder diffraction data by Monte Carlo methods. J. Am. Chem. Soc. 116 (1994) 3543-3547.
12. Tremayne, M.; Karuiki, B. M.; Harris, K. D. M.: Structure determination of a complex organic solid from X-ray powder diffraction data by a generalized Monte Carlo method: The crystal structure of red fluorescein. Angew. Chem. Int. Ed. 36 (1997) 770-772.
13. Favre-Nicolin, V.; Cern, R.: FOX, free object for crystallography: a molecular approach to ab initio structure determination from powder diffraction data. J. Appl. Cryst. 35 (2002) 734-743.
14. David, W. I. F.; Shankland, K.; Cole, J.; Maginn, S.; Motherwell, W. D. H.; Taylor, R.: DASH User Manuel; Cambridge Crystallographic Data Center, Cambridge, UK, 2001.
15. Harris, K. D. M.; Johnston, R. L.; Albesa Jové, D.; Chao, M. H.; Cheung, E. Y.; Habershon, S.; Kariuki, B. M.; Lanning, O. J.; Tedesco, E.; Turner, G. W.: EAGER. University of Birmingham, 2001.
16. Harris, K. D. M.: New opportunities for structure determination of molecular materials directly from powder diffraction data. Cryst. Growth Des. 3 (2003) 887-895.
17. Mondal, S.; Mukherjee, M.; Chakraborty, S.; Mukherjee, A. K.: A novel three-dimensional network containing Pr(III) ions and tartarate: synthesis, spectroscopic, thermal, ab initio X-ray powder structure analysis, and photoluminescence properties. Cryst. Growth Design. 6 (2006) 940-945.
18. Guo, F.; Harris, K. D. M.: Structural understanding of a molecular material that is accessed only by solid-state desolvation process: The scope of modern powder X-ray diffraction techniques. J. Am. Chem. Soc. 127 (2005) 7314-7315.
19. Lefebvre, J.; Willart, J. F.; Caron, V.; Lefort, R.; Affouard, F.; Danede, F.: Structure determination of the 1/1 a/b mixed lactose by X-ray powder diffraction. Acta Cryst. B61 (2005) 455-463.
20. Ghosh, S.; Mukhopadhyay, R.; Helliwell, M.; Mukherjee, A. K.: Synthesis, spectroscopic and X-ray structure analyses of two N-[(3′-aryl) prop-2′-ynyl]-N,N′-1,2-phenylene di-p-tosylamides. Z. Kristallogr. 221 (2006) 740-745.
21. Banerjee, S.; Mukherjee, A. K.; Mukhopadhyay, R.; Kundu, N. G.; Welch, A. J.: A series of three (E)-2-alkylidene-1,4-di-p-tosyl-1,2,3,4- tetrahydro-quinoxaline compounds. Acta Cryst. C57 (2001) 861-864.
22. Coelho, A. A.: Indixing of powder diffraction patterns by iterative use of singular value decomposition. J. Appl. Cryst. 36 (2003) 86-95.
23. Werner, P. E.; Eriksson, L.; Westdahl, M.: TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries. J. Appl. Cryst. 18 (1985) 367-370.
24. De Wlof, P. M.: A simplified criterion for the reliability of a powder pattern indexing. J. Appl. Cryst. 1 (1968) 108-113.
25. N: A criteria for rating powder diffraction patterns and evaluating the realiability of powder-pattern indexing. J. Appl. Cryst. 12 (1979) 60-65.
26. Boultif, A.; Louer, D.: Indexing of powder diffraction patterns for low-symmetry lattices by the successive dichotomy mediod. J. Appl. Cryst. 24 (1991) 987-993.
27. Altomare, A.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G.; Rizzi, R.; Werner, P. E.: New techniques for indexing: N- TREOR in EXPO. J. Appl. Cryst. 33 (2000) 1180-1186.
28. Altomare, A.; Calinadro, R.; Camalli, M.; Cuocci, C.; da Silva, L.; Giavovazzo, C.; Moliterni, A. G. G.; Spagna, R.: Space-group determination from powder diffraction data: a probabilistic approach. J. Appl. Cryst. 37 (2004) 957-966.
29. Altomare, A.; Caliandro, R.; Camalli, M.; Cuocci, C.; da Silva, I.; Giacovazzo, C.; Moliterni, A. G. G.; Rizzi, R.: Automatic structure determination from powder diffraction data. J. Appl. Cryst. 37 (2004) 1025-1028.
30. 6 by X-ray powder diffraction. Mater. Res. Bull. 23 (1988) 447-452.
31. Toroya, H.: Whole powder pattern fitting widiout reference to a structural model: application to X-ray powder diffraction. J. Appl. Cryst. 19 (1986) 440-447.
32. Stewart, J. J. P.: MOPAC, Version 5.0, Quantum Chemistry program exchange 581. Indiana University, 1988.
33. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P.: Development and use of quantum mechanical molecular models. J. Am. Chem. Soc. 107 (1985) 3902-3909.
34. Larson, A. C.; von Dreele, R. B.: General Structure Analysis System (GSAS); Los Alamos National Laboratory Report, LA-UR 86-748; Los Alamos National Laboratory, Los Alamos, NM, 1994.
35. Farrugia, L. J.: ORTEP III (Version 1.06). Department of Chemistry, University of Glasgow, Scodand, U. K.
36. Cremer, D.; Pople, A.: A general definition of ring puckering coordinates. J. Am. Chem. Soc. 97 (1975) 1354-1358.