CRYSTAL AND MOLECULAR-STRUCTURE OF AHYDRO-5H-BENZOCYCLOHEPTEN-5-YLIDENE)ETHANONITRILE

Authors
COX O LI YJ GAO Y HERNANDEZ WJ
Citation
O. Cox et al., CRYSTAL AND MOLECULAR-STRUCTURE OF AHYDRO-5H-BENZOCYCLOHEPTEN-5-YLIDENE)ETHANONITRILE, Journal of crystallographic and spectroscopic research, 23(10), 1993, pp. 825-828
Citations number
15
Categorie Soggetti
Crystallography,Spectroscopy
Journal title
Journal of crystallographic and spectroscopic research → ACNP
ISSN journal
02778068
Volume
23
Issue
10
Year of publication
1993
Pages
825 - 828
Database
ISI
SICI code
0277-8068(1993)23:10<825:CAMOA>2.0.ZU;2-A
Abstract
The title compound C20H16N2S is crystallized in the monoclinic space g roup P2(1)/c with cell parameters a = 10.663(4), b = 17.585(9), c = 9. 418(5) angstrom, beta = 115.23-degrees-(4), V = 1598(3) angstrom3, Z = 4. The structure was refined by full-matrix least-squares methods usi ng X-ray data set collected at room temperature. A final R(F) = 0.033 and R(w) = 0.048 for 2225 unique reflections with I > 3sigma(I) and 27 2 variables was obtained. The X-ray crystallographic study establishes the Z stereochemistry of the title compound.