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Cambridge Structural Database (CSD): Cambridge Structural Database

Access

Download of desktop applications

Before you can download the desktop applications, you need a Site Number and Confirmation Code.

Contact elibrary@dtu.dk to receive the codes and link to the download page.

CSD in short

Type: Database of crystallographic data

Subject: Organic, organometallic, and metal complex structures

Content: Published crystallographic data for 2D and 3D structures determined using x-ray or netron diffraction

What's in Cambridge Structural Database?

CSD is a world repository of small molecule crystal structures. The database contains bibliographic, chemical and crystallographic information for organic molecules and metal-organic compounds whose 3D structures have been determined using x-ray and neutron diffraction. The crystal structure data arise from published literature and from private communications to the CSD via direct data deposition. Each structure has been validated.

You have two ways of using CSD: via the web portal WebCSD or via several desktop applications.

Features in WebCSD

  • Full-text and numeric searching
  • Reduced cell searching
  • 2D substructure searching
  • 2D structure similarity searching

Major features in some of the desktop applications

  • Visualize and analyse extended molecular networks (Mercury)
  • Validate molecular geometries (Mogul)
  • Assess intermolecular interactions (IsoStar)
  • Build your own database in CSD format (Prequest)