Open AccessMOLECULAR AND CRYSTAL STRUCTURE OF ANCAOLIA (CRYSTAL Ⅰ AND CRYSTAL Ⅱ)
Author(s) -
Lin Xiu-Yun,
Shude Zhang
Publication year - 1983
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.32.273
Subject(s) - crystal (programming language) , diffractometer , crystallography , crystal structure , materials science , molecule , benzene , ring (chemistry) , plane (geometry) , physics , chemistry , geometry , mathematics , computer science , quantum mechanics , programming language , organic chemistry
ANCAOLAN is a weed killer, its series product, the crystal Ⅰ(C11H16N2O4 PSCL) and crystal Ⅱ(C12H13P21/c. There are four molecules in a unit cell. The crystal parameters are: crystal Ⅰ α=8.575?, b= 26.541 ?, c= 7.063?,β= 94.744°; crystal Ⅱ α= 8.575?, b= 26.538?, c= 7.073?, β= 93.819°. For the crystals Ⅰ and Ⅱ, the three-dimensional intensity data were collected by using PW-1100 four-circle diffractometer and the numbers of independent diffractions are 3123 and 3166 respectively.Their structures were solved by direct method and refined by full matrix least-squares method. Their final .R-factors are 0.10 and 0.11 respectively.The plane of nitro is perpendicular to the plane of benzene ring.The weed killing effect of crystal Ⅱ is better than that of the crystal Ⅰ.