Crystal structure of 1,3-diphenyladamantane and trans-1,4-diphenylcyclohexane: Torsion angles about C-Ph bonds in α,ω-diphenyl(alicyclic hydrocarbon)

Journal of Molecular Structure

Volumn 655, Issue 3, 2003, Pages 473-478

  Tukada, Hideyuki ^a   Mochizuki, Katsura ^a  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

Author keywords

CH HC contact; Diphenyladamantane; Diphenylcyclohexane; Torsion angle; Triple helix

Indexed keywords

1,3 DIPHENYLADAMANTANE; 1,4 DIPHENYLCYCLOHEXANE; ADAMANTANE DERIVATIVE; ALICYCLIC HYDROCARBON; CYCLOHEXANE DERIVATIVE; PHENYL GROUP; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; CONFORMATION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRICITY; MOLECULAR INTERACTION; THEORY; TORSION; TORSION ANGLE; TRIPLE HELIX; VAN DER WAALS INTERACTION;

EID: 0041669260     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(03)00348-X     Document Type: Article

References (19)

1. R. Hoffmann, Acc. Chem. Res. 4 (1971) 1.
2. C.A. van Walree, M.R. Roest, W. Schuddeboom, L.W. Jenneskens, J.W. Verhoeven, J.M. Warman, H. Kooijman, A.L. Spek, J. Am. Chem. Soc. 118 (1996) 8395.
3. A.H. Goldberg, D.A. Dougherty, J. Am. Chem. Soc. 105 (1983) 284.
4. H. Tukada, K. Mochizuki, Org. Lett. 3 (2001) 3305.
5. H. Tukada, K. Mochizuki, J. Mol. Struct. 643 (2002) 85.
6. S. Chalais, A. Cornelis, A. Gerstmans, W. Kolodziejski, P. Laszlo, A. Mathy, P. Metra, Helv. Chim. Acta. 68 (1985) 1196-1203.
7. H. Pines, W.F. Fry, N.C. Sih, C.T. Goetschel, J. Org. Chem. 31 (1966) 4094.
8. S.G. Levine, A.S. Ng, J. Org. Chem. 50 (1985) 390.
9. CSD deposition numbers: 1, CCDC174574(ICOKUG); 2, CCDC 174575 (ICOKOA)
10. maXus (v.4.3) software by C. Gilmore, University of Glasgow. Sir 92 A. Altomare, G. Cascarano, C. Giacovazzo, A. Guagliardi, M.C. Burla, G. Polidori, M. Camalli, J. Appl. Cryst. 27 (1974) 435.
11. G.M. Sheldrick, SHELXL 97. Program for the Refinement of Crystal Structures, University of Gottingen, Germany, 1999
12. GAUSSIAN 98 revision A7, Gaussian, Inc., USA.
13. CAChe v4.4. Oxford Molecular Ltd. and Fujitsu Ltd. A MM3 program produced by Allinger:N.L. Allinger, Y.H. Yuh, J.-H. Lii, J. Am. Chem. Soc. 111 (1989) 8551.
14. Cambridge Crystallographic Data Centre, CSD (v. 5.24); ConQuest (v. 1.5), Nov. 2002.
15. A. Bondi, J. Phys. Chem. 68 (1964) 441.
16. J.N. Moorthy, R. Natarajan, P. Mal, P. Venugopalan, J. Am. Chem. Soc. 124 (2002) 6530.
17. M.D. Hollingsworth, M.E. Brown, A.C. Hillier, B.D. Santarsiero, D. Chaney, Science 273 (1996) 1355.
18. R. Bishop, L.G. Dance, Top. Curr. Chem. 149 (1988) 137.
19. ORTEP-3 for Windows:L.H. Farrugia, J. Appl. Cryst. 30 (1997) 565 ORTEP-3 for Windows is based on ORTEP-III (v.1.0.3) by C. K. Johnson and M. N. Burnett, Oak Ridge National Laboratory, Tennessee, USA.