Neutron powder and ab initio structure of ortho-xylene: The influence of crystal packing on phenyl ring geometry at 2 K

Chemical Communications

Volumn , Issue 7, 2000, Pages 539-540

  Ibberson, Richard M ^a   Morrison, Carole ^b   Prager, Michael ^c  

^a RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^b UNIVERSITY OF EDINBURGH   (United Kingdom)

^c FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ORTHO XYLENE;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; CRYSTAL; CRYSTAL STRUCTURE; CRYSTALLIZATION; GEOMETRY; HYDROGEN BOND; LOW TEMPERATURE; MOLECULAR INTERACTION; NEUTRON; STRUCTURE ANALYSIS;

EID: 0034616418     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/a908599h     Document Type: Article

References (18)

1. G. R. Desiraju, Chem. Commun., 1997, 1475.
2. M. Prager, W. I. F. David and R. M. Ibberson, J. Chem. Phys., 1991, 95, 2473.
3. M. Prager, M. Monkenbusch, R. M. Ibberson, W. I. F. David and D. Cavagnat, J. Chem. Phys., 1993, 98, 5653.
4. H. van Koningsveld, A. J. van den Berg, J. C. Jansen and R. de Goede, Acta Crystallogr., Sect. B., 1986, 42, 491.
5. R. M. Ibberson, W. I. F. David, S. Parsons, M. Prager and K. Shankland, J. Mol. Struct., 2000, in press.
6. R. M. Ibberson, J. Appl. Crystallogr., 1996, 29, 498.
7. J. W. Visser, Autoindexing program-ITO. Technisch Physische Dienst, P.O. Box 155, Delft, The Netherlands, 1988.
8. C. J. Gilmore, MITHRIL a computer program for the automatic solution of crystal structures from X-ray data (Version 1.0). Department of Chemistry, University of Glasgow, Glasgow, UK G12 8QQ, 1983.
9. H. M. Rietveld, J. Appl. Crystallogr., 1969, 2, 65.
10. W. I. F. David, R. M. Ibberson and J. C. Matthewman, Rutherford Appleton Laboratory Report, RAL-92-032.
11. F. H. Herbstein and M. Kapon, Acta Crystallogr., Sect. B, 1990, 46, 567.
12. T. Steiner, S.A. Mason and M. Tamm, Acta Crystallogr., Sect. B., 1997, 53, 843.
13. G. R. Desiraju, Acc. Chem. Res., 1996, 29, 441.
14. T. Steiner, Chem. Commun., 1997, 727.
15. T. Stenier and G. Desiraju, Chem. Commun., 1998, 891.
16. G. Desiraju and T. Steiner, The Weak Hydrogen Bond, Oxford University Press/International Union of Crystallography, Oxford, 1999 and references therein.
17. ORTEP: M. N. Burnett and C. K. Johnson, ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Program for Crystal Structure Illustrations, Oak Ridge National Laboratory, TN Report ORNL-6895, 1996.
18. GAUSSIAN 94 (Revision C.2), M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Kakrezewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez and J. A. Pople, Gaussian Inc., Pittsburgh, PA, 1995.