Crystal structure of diethyl 1-(6-methyl-2-benzothiaylamino)-2,4-dichlorophenylmethylphosphonate

Citation
Zg. Li et al., Crystal structure of diethyl 1-(6-methyl-2-benzothiaylamino)-2,4-dichlorophenylmethylphosphonate, CHIN J ST C, 18(4), 1999, pp. 259-262
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
259 - 262
Database
ISI
SICI code
0254-5861(1999)18:4<259:CSOD1>2.0.ZU;2-N
Abstract
The crystal and molecular structure of diethyl 1-(6-methyl-2-benzothiazolea mino)-2,4-dichlorophenylmethylphosphonate has been determined by X-ray diff raction method. The crystal (C19H21Cl2N2O3PS) is monoclinic with space grou p p2(1)/c, a=8.318(2), b=18.202(4), c=14.673(3) Angstrom, beta=92.51(3)degr ees, mu=0.4749 mm(-1), Z=4; D-x=1.375 g/cm(3), F(000)=952, V=2219(1) Angstr om(3), final R=0.059 and R-w=0.060 for 2038 observed reflections with I gre ater than or equal to 3 sigma(I). The X-ray analysis result shows that the magnetic nonequivalence of the two ethoxy groups of the title compound is c aused by the shielding effect of the benzene ring in alpha-position.