Abstract:
The crystal structure of ivermectin (H
2B
1a) was determined by X-ray diffraction. Ivermectin was found to be composed of more than 80% H
2B
1a and less than 20% H
2B
1b. The crystal of H
2B
1a belongs to the space group C 2 with a=40.736(6)A, b=9.295(3)A, c=14.966(3)A, β=106.93(1)°. After structure refinement using leastsquares method, the final R factor of H
2B
1a is 0.0658. The space configuration of H
2B
1a is a long chain along the Caxis. The molecular aggregates are extended into pairs of long chains parallel to each other, some distance apart. The distance between chains is the same, but their direction is opposite. This structure of H
2B
1a is similar to some biomacromolecules.