Intramolecular forces: The molecular structure and conformation of 2-cyclopropylpyridine and 4-cyclopropylpyridine

Journal of Molecular Structure

Volumn 738, Issue 1-3, 2005, Pages 25-31

  Traetteberg, Marit ^a   Rauch, Karsten ^b   De Meijere, Armin ^b  

^a NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

Conformation; Cyclopropyl groups; Gas phase electron diffraction; Intramolecular interactions; Quantum chemical calculations

Indexed keywords

ATOMS; BENZENE; ELECTRON DIFFRACTION; ELECTRONS; FORCE MEASUREMENT; NITROGEN;

CYCLOPROPYL GROUP; GAS PHASE; INTRAMOLECULAR FORCES; PYRIDINE;

MOLECULAR STRUCTURE;

2 CYCLOPROPYLPYRIDINE; 4 CYCLOPROPYLPYRIDINE; BENZENE DERIVATIVE; NITROGEN; PYRIDINE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; ELECTRON DIFFRACTION;

EID: 14644403056     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.10.066     Document Type: Article

References (20)

1. A. de Meijere Angew. Chem. 91 1979 867
2. A. de Meijere Angew. Chem. Int. Ed. Engl. 18 1979 809
3. G.L. Closs, and H.B. Klinger J. Am. Chem. Soc. 87 1965 3265
4. J.P. Pete Bull. Soc. Chim. France 1967 357
5. Q. Shen, C. Wells, M. Traetteberg, R.K. Bohn, A. Willis, and J. Knee J. Org. Chem. 66 2001 5840
6. C. Galli Mag. Res. Chem. 27 1989 214
7. H.C. Brown, and J.D. Clevela J. Am. Chem. Soc. 88 1968 2051
8. R.E. Drumright, R.H. Mass, J.S. Merola, and J.M. Tanko J. Org. Chem. 55 1990 4098
9. I. Bar, J. Bernstein, and A. Christensen Tetrahedron 33 1977 3177
10. Q. Shen, J. Walker, and M. Traetteberg J. Mol. Struct. 648 2003 69
11. R. Levine, and G.R. Patrick J. Org. Chem. 38 1973 3942
12. J.J. Eisch, H. Gopal, and D.A. Russo J. Org. Chem. 39 1974 3110
13. M. Krečmerová, A. Holy, and M. Masojidkova Collect. Czech. Chem. Commun. 60 1995 670
14. W. Zeil, and J. Hasse L Wegman Instrumentenkd. 64 1966 84
15. O. Bastiansen, R. Graber, and L. Wegman Balzer's High Vac Rep. 25 1969 1
16. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratman, 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. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Coslowski, J.V. Ortiz, A.G. Baboul, 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, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzales, M. Head-Gordon, E.S. Replogle, J.A. Pople, gaussian 98, Revision A.9, Gaussian, Inc., Pittsburg, PA, 1998.
17. L. Hedberg, and I. Mills J. Mol. Spectrosc. 203 2000 82
18. L. Hedberg Abstracts of Papers, 5th Austin Symposium on Gas Phase Molecular Structure, Austin TX 1974 (p. 37)
19. G. Gundersen, and K. Hedberg J. Chem. Phys. 51 1969 2500
20. L. Schäfer, A.C. Yates, and R. Bonham J. Chem. Phys. 56 1971 3056