New N′-alkylidene/cycloalkylidene derivatives of 5-methyl-3-phenyl- 1H-indole-2-carbohydrazide: Synthesis, crystal structure, and quantum mechanical calculations

Journal of Molecular Structure

Volumn 740, Issue 1-3, 2005, Pages 213-221

  Kaynak, F Betül ^a   Öztürk, Devrim ^b   Özbey, Süheyla ^a   Çapan, Gültaze ^b  

^a HACETTEPE UNIVERSITY   (Turkey)

^b ISTANBUL UNIVERSITY   (Turkey)

Author keywords

(Cyclo)alkylidenehydrazides; Ab initio; Crystal structure; Indole; NMR; PM3

Indexed keywords

CHEMICAL BONDS; COALESCENCE; MASS SPECTROMETRY; MICROANALYSIS; NUCLEAR MAGNETIC RESONANCE; RESONANCE; SINGLE CRYSTALS; X RAY DIFFRACTION ANALYSIS;

CONDENSATION PRODUCTS; CYCLOPENTANONE; DOUBLE RESONANCES; ROTATIONAL BARRIERS;

AROMATIC COMPOUNDS;

EID: 16444385583     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.01.058     Document Type: Article

References (24)

1. A.Y. Merwade, S.B. Rajur, and L.D. Basanagoudar Indian J. Chem. 29B 1990 1113
2. A.E. Fernandez, V.A. Monge, Span. 400, 436 CA 83 (1975) 114205q.
3. A. Alemany, M. Bernabe, C. Elorriaga, E. Fernandez-Alvarez, M. Loratamaya, and M.O. Nieto Bull. Soc. Chim. France 1966 2486
4. N. Ergenç, N.S. Günay, and R. Demirdamar Eur. J. Med. Chem. 33 1998 143
5. K.H. Sinnur, S. Siddappa, S.P. Hiremath, and M.G. Purohit Indian J. Chem. 25B 1986 716
6. A. Williams, and T.L. Lemke: Lemke: Foye's Principles of Medicinal Chemistry 2002 LippincottWilliams and Wilkins Philadelphia pp. 53-54
7. N. Ergenç, A. Salman, and G. Bankaoǧlu Pharmazie 45 1990 346
8. G. Çapan, N. Ergenç, S. Büyüktimkin, and N. Yuluǧ Sci. Pharm. 61 1993 243
9. N. Karali, G. çapan, N. Ergenç, and A. Gürsoy Sci. Pharm. 65 1997 277
10. G. Çapan, N. Ulusoy, N. Ergenç, and M. Kiraz Monatsh. Chem. 130 1999 1399
11. Enraf-Nonius, Cad4 Express Software. Version 1.1. Enraf-Nonius, Delft, The Netherlands (1993).
12. G.M. Sheldrick shelxs-97 and shelxl-97 1997 University of Göttingen Germany
13. M.J. Frisch, G.W. Trucks, H.B. Sclegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Cliffrod, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, J.A. Pople, gaussian98, Revision A.1, Gaussian Inc., Pittsburgh PA, 1998.
14. P. Walters, M. Stahl, Babel, version 1.1, Department of Chemistry, University of Arizona, Tucson, AZ 85721, 1994.
15. A. Petersson, and M.A. Al-Laham J. Chem. Phys. 94 1991 6081
16. HyperChem 6.01, Molecular Modeling System, HyperCube, Inc., Waterloo, Oterio, 2000.
17. C.K. Johnson, ORTEP. Report ORNL-3794. Oak Ridge National Laboratory, Tenessee, USA, 1965.
18. R.M. Claramunt, P. Cornago, D. Sanz, M.D. Santa-Maria, C. Foces-Foces, I. Alkorta, and J. Elguero J. Mol. Struc. 605 2002 199
19. B.J. Smith, and R. Liu J. Mol. Struc. 491 1999 211
20. B. Morzyk-Ociepa, D. Michalska, and A. Pietraszko J. Mol. Struc. 688 2004 79
21. B. Morzyk-Ociepa, D. Michalska, and A. Pietraszko J. Mol. Struc. 688 2004 87
22. F.H. Allen, O. Kennard, D.W. Watson, L. Brammer, A.G. Orpen, and R.J. Taylor Chem. Soc. Perkin Trans. II 1987 S1 S19
23. D. Cremer, and J.A. Pople J. Am. Chem. Soc. 97 1975 1354
24. Y. Umezawa, S. Tsuboyama, H. Takahashi, J. Uzawa, and M. Nishio Tetrahedron 55 1999 10047