Crystal and molecular structure of pisatin |
| |
| Authors: | C. DeMartinis M. F. Mackay D. R. Perrin |
| |
| Affiliation: | (1) Department of Physical Chemistry, La Trobe University, 3083 Bundoora, Victoria, Australia;(2) Division of Plant Industry, C.S.I.R.O., P.O. Box 1600, 2601 Canberra, A.C.T., Australia |
| |
| Abstract: | (+)-Pisatin, C17H14O6, a lipophilic substance with antifungal activity, has been isolated fromPisum sativum L. following fungal inoculation. Orthorhombic crystals of the monohydrate belong to the space groupP212121 witha = 6.910(3),b = 9.006(2),c = 24.253(4) Å, andZ = 4. The structure was solved by direct methods from diffractometer data measured with CuK radiation. Refinement with anisotropic temperature factors given to the non-hydrogen atoms converged atR = 0.058 for the 1255 observed terms. The molecular conformation is similar to the conformation recently reported for phaseollin, a related phytoalexin. Hydrogen bonds involving the water and pisatin molecules link the latter into infinite spirals extending alongb. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
