A novel potent non-nucleoside reverse transcriptase inhibitor acylthiocarbamate derivative with extensive intramolecular π-π Interactions

Acta Crystallographica Section C: Crystal Structure Communications

Volumn 62, Issue 6, 2006, Pages

  Mugnoli, Angelo ^a   Borassi, Alberto ^a   Spallarossa, Andrea ^a   Cesarini, Sara ^a  

^a UNIVERSITY OF GENOA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACYLTHIOCARBAMATES; ATOMIC CHARGES; INTERMOLECULAR INTERACTIONS; N-BENZOYL MOIETIES;

ATOMS; COMPUTATIONAL METHODS; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

ENZYMES;

ACYLTHIOCARBAMATE; HYDROGEN; NUCLEOSIDE; RNA DIRECTED DNA POLYMERASE INHIBITOR; THIOCARBAMIC ACID DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; HYDROGEN; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NUCLEOSIDES; REVERSE TRANSCRIPTASE INHIBITORS; THIOCARBAMATES;

EID: 33745146515     PISSN: 01082701     EISSN: 01082701     Source Type: Journal    
DOI: 10.1107/S0108270106013175     Document Type: Article

References (19)

1. Aldridge, S., Jones, C., Junk, P. C., Richards, A. F. & Waugh, M. (2003). J. Organomet. Chem. 665, 127-134.
2. Allen, F. H. (2002). Acta Cryst. B58, 380-388.
3. Allen, F. H., Kennard, O., Brammer, L., Orpen, G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. pp. S1-19.
4. Barrett, D. M. Y., Kahwa, I. A., Raduchel, B., White, A. J. P. & Williams, D. J. (1998). J. Chem. Soc. Perkin Trans. 2, pp. 1851-1856.
5. Bruno, I. J., Cole, J. C., Edgington, P. R., Kessler, M., Macrae, C. F., McCabe, P., Pearson, J. & Taylor, R. (2002). Acta Cryst. B58, 389-397.
6. Cesarini, S., Spallarossa, A., Ranise, A., Schenone, S., Bruno, O., Bondavalli, F., Atzori, M., Saddi, M., Collu, G., Marongiu, M., Poddesu, B. & La Colla, P. (2003). Proceedings of the XXIth National Congress of the Italian Chemical Society, Torino, 22-27 June, Vol. I, FA-CO-006.
7. Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
8. Gabe, E. J., Le Page, Y., Charland, J.-P., Lee, F. L. & White, P. S. (1989). J. Appl. Cryst. 22, 384-387.
9. Hobza, P., Selzle, H. L. & Schlag, E. W. (1994). J. Am. Chem. Soc. 116, 3500-3506.
10. Hunter, C. A. & Sanders, J. K. M. (1990). J. Am. Chem. Soc. 112, 5525-5534.
11. Hypercube (2005). HYPERCHEM. Version 7.5. Hypercube Inc., 1115 NW 4th St., Gainsville, FL 32601-4256, USA.
12. Morales, A.D.,Novoa De Armas, H., Blaton, N.M., Peeters, O.M., De Ranter, C. J., Marquez, H. & Henandez, P. R. (2000). Acta Cryst. C56, 1042-1043.
13. Nardelli, M. (1995). J. Appl. Cryst. 28, 659.
14. Nonius (2000). MACH3 Software. Nonius BV, Delft, The Netherlands.
15. Pauling, L. (1960). The Nature of the Chemical Bond, 3rd ed. Ithaca: Cornell University Press.
16. Ranise, A., Spallarossa, A., Schenone, S., Bruno, O., Bondavalli, F., Vargiu, L., Marceddu, T., Mura, M., La Colla, P. & Pani, A. (2003). J. Med. Chem. 46, 768-781.
17. Sakamoto, M., Takahashi, A., Shimizu, M., Yamaguchi, K., Mino, K., Watanabe, S. & Fujita, T. (1998). Chem. Commun. pp. 2315-2316.
18. Sheldrick, G. M. (1997). SHELXL97. University of Göttingen, Germany.
19. Singh, A. K., Kadarkaraisamy, M., Murthy, G. S., Srinivas, J., Varghese, B. & Butcher, R. J. (2000). J. Organomet. Chem. 605, 39-44.