Synthesis and crystal structure of ethoxyethyl 3-(2-chloro-5-pyridyl methylamino)-2-cyano-3-methylthio acrylate

Authors
Liu, X Huang, RQ Li, ZG Wang, HG Yao, XK
Citation
X. Liu et al., Synthesis and crystal structure of ethoxyethyl 3-(2-chloro-5-pyridyl methylamino)-2-cyano-3-methylthio acrylate, CHIN J ST C, 18(4), 1999, pp. 282-285
Citations number
4
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
02545861 → ACNP
Volume
18
Issue
4
Year of publication
1999
Pages
282 - 285
Database
ISI
SICI code
0254-5861(1999)18:4<282:SACSOE>2.0.ZU;2-6
Abstract
The crystal of the title compound C15H18ClN3O3S(M-r=355.85) was prepared an d determined by X-ray single crystal diffraction. The crystal is triclinic, space group P (1) over bar(No. 2) with parameters: a=7.820(2), b=9.296(2), c=12.992(3) Angstrom, alpha=69.87(3), beta=84.40(3), gamma=85.80(3)degrees , V=881.7(4) Angstrom(3), Z=2, D-x=1.340g/cm(3), mu(MoK alpha)=0.3438mm(-1) , F(000)=186, the final R=0.069 and R-w=0.064 for 1382 observed reflections . The X-ray data confirmed the E-stereochemistry of the title compound and demonstrated the presence of an intramolecular hydrogen bonding.