Displayed in the applet window is the asymmetric unit of the crystal structure of the organic molecule:

The asymmetric unit consists of one "tetramer" molecule, one molecule of dichloromethane and one-half of a water molecule. The oxygen of the water molecule lies on a crystallographic 2-fold axis. Rotation about this axis produces a second hydrogen on the water (click "add H").

The water is hydrogen bonded to a carbonyl oxygen of the tetramer. There is a second tetramer related to the first by the 2-fold axis. The second molecule is also hydrogen bonded to the water molecule. (click "add 2nd tetramer")

There is also, of course, a second dichloromethane associated with this tetramer molecule (click "add DCM").

There are a series of these hydrogen-bonded "head-to-tail" pairs of tetramers (click "add 2nd pair").

And, then, "add 3rd pair".

To get an idea about the extended structure, we can add a complete 2nd cell along the c-direction (click "add 2nd cell").

To get a more realistic depiction of the packing, represent the structure as a space-filling model (click "space-filling")

Compound 99027




To rotate the cell, move the cursor inside the applet frame while holding down the (left) mouse button.