Abstract
The title compound C18H18N2O2S is monoclinic with unit-cell dimensionsa=8.849(10),b=9.185(11),c=20.257(9) Å,β=109.28(10)°. The space group isP21/c, withZ=4. Data were measured by photographic methods. The structure was solved by direct methods. A full-matrix least-squares refinement converged toR=0.10. All atoms except sulfur were assigned individual isotropic thermal parameters. The conformation of the thiadiazepine ring system is distorted boat shaped, as indicated by torsion angle studies.
Similar content being viewed by others
References
Cromer, D. T., and Liberman, D. (1970)J. Chem. Phys. 53, 1891.
Cromer, D. T., and Mann, J. B. (1968)Acta Cryst. A 24, 321.
Cuthbertson, E., Hardy, A. D. U., and Macnicol, D. T. (1975)J. Chem. Soc. Perkin Trans I 3, 253.
Donohue, J., Lavine, R. L., and Rollet, J. S. (1956)Acta Cryst. 9, 655.
Klyne, W., and Prelog, V. (1960)Experientia 521.
Nardelli, M. (1983)Computer Chem. 7, 195.
Rae, A. D., and Blake, A. B. (1966)Acta Cryst. 20, 586.
Sandhu, S. S., Tandon, S. S., and Singh, H. (1977)Ind. J. Chem. B15, 664.
Sheldrick, G. M. (1976)Shelx-76, program for crystal structure determination (University of Cambridge, Cambridge, England).
Sheldrick, G. M. (1986)Shelxs-86 (University of Göttingen, Göttingen, West Germany).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Hundal, M.S., Sood, G., Kapoor, P. et al. Structure of 3,6-di(p-methoxyphenyl)-2,7-dihydro-1,4,5-thiadiazepine. Journal of Crystallographic and Spectroscopic Research 18, 601–607 (1988). https://doi.org/10.1007/BF01161153
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01161153