Hydrogen-bonding and C-H⋯π interactions in ethyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate monohydrate

Acta Crystallographica Section C: Crystal Structure Communications

Volumn 58, Issue 11, 2002, Pages

  Silva, Manuela Ramos ^a   Beja, Ana Matos ^a   Paix̃o, José António ^a   Sobral, Abílio J F N ^a   Lopes, Susana H ^a   Rocha Gonsalves, A M d'A ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

ACETIC ACID; ADDITION REACTIONS; DISSOLUTION; HYDROGEN BONDS; MOLECULAR STRUCTURE; QUANTUM THEORY; WATER;

INTERNAL COHESION;

AROMATIC COMPOUNDS;

EID: 0036864945     PISSN: 01082701     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108270102018255     Document Type: Article

References (20)

1. Allen, F.H., Kennard, O., Watson, D.G., Brammer, L., Orpen, A.G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-19.
2. Artico, M., Silvestri, R., Massa, S., Loi, A.G., Corrias, S., Piras, G. & La Colla, P. (1996). J. Med. Chem. 39, 522-530.
3. Baltazzi, E. & Krimen, L.I. (1963). Chem. Rev. 63, 511-556.
4. Bernstein, J., Davis, R.E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.
5. Chadwick, D.J. (1990). The Chemistry of Heterocyclic Compounds, Vol. 48, edited by R. Alan Jones, pp. 1-104. New York: Wiley and Sons.
6. Enraf-Nonius (1989). CAD-4 Software. Version 5.0. Enraf-Nonius, Delft, The Netherlands.
7. Fürstner, A., Krause, H. & Thiel, O.R. (2002). Tetrahedron, 58, 6373-6380.
8. Gribble, G.W. (1996). Pyrroles and their Benzo Derivatives: Applications. Comprehensive Heterocyclic Chemistry II, Vol. 2, edited by A.R. Katritzky, C.V. Rees & E.F.V. Scriven, ch. 2.04. Amsterdam: Elsevier.
9. Johnson, C.K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.
10. Malone, J.F., Murray, C.M., Charlton, M.H., Docherty, R. & Lavery, A.J. (1997). J. Chem. Soc. Faraday Trans. 93, 3429-3436.
11. North, A.C.T., Phillips, D.C. & Mathews, F.S. (1968). Acta Cryst. A24, 351-359.
12. Paixão, J.A., Matos Beja, A., Ramos Silva, M., Alte da Veiga, L., Sobral, A.J.F.N., Lopes, S.H. & Rocha Gonsalves, A.M. d'A. (2002). Z. Kristallogr. New Cryst. Struct. 217, 430-432.
13. Ramos Silva, M., Matos Beja, A., Paixão, J.A., Alte da Veiga, L., Sobral, A.J.F.N. & Rocha Gonsalves, A.M. d'A. (2000). Acta Cryst. C56, 1263-1264.
14. Ramos Silva, M., Matos Beja, A., Paixão, J.A., Sobral, A.J.F.N., Lopes, S.H. & Rocha Gonsalves, A.M. d'A. (2002a). Acta Cryst. C58, o572-o574.
15. Ramos Silva, M., Matos Beja, A., Paixão, J.A., Sobral, A.J.F.N., Lopes, S.H. & Rocha Gonsalves, A.M. d'A. (2002b). Z. Kristallogr. New Cryst. Struct. In the press.
16. Schmidt, M.W., Baldridge, K.K., Boatz, J.A., Elbert, S.T., Gordon, M.S., Jensen, J.J., Koseki, S., Matsunaga, N., Nguyen, K.A., Su, S., Windus, T.L., Dupuis, M. & Montgomery, J.A. (1993). J. Comput. Chem. 14, 1347-1363.
17. Sheldrick, G.M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.
18. Spek, A.L. (1997). HELENA. University of Utrecht, The Netherlands.
19. Spek, A.L. (2002). PLATON. University of Utrecht, The Netherlands.
20. Umezawa, Y., Tsuboyama, S., Takahashi, H., Uzawa, J. & Nishio, M. (1999). Tetrahedron, 55, 10047-10056.