chemical data and database these are two different things, you can organized your chemical data in database.

i need to review the x-ray crystallographic data of a certain drug to show geometries and to know which rotamer is the prominent.

Concerning crystal structures of organic molecules (such as many drug substances) I recommend the following two databases:

Crystallographic Open Database (open access):

http://www.crystallography.net/

Cambridge Structural Database (license required):

http://www.ccdc.cam.ac.uk/pages/Home.aspx

Both include a very large number of substances, including many pharmaceutical substances.

Hope I could contribute something useful!

For inorganic crystallographic database, you can install the latest commercial software "Findit". It contain very detailed crystallographic database for most inorganic compounds.

Thanks so much!