Engineer new materials

CSD-Materials helps you explore exciting new materials through analysing intra-and intermolecular interactions within the lattice, helping you to understand your material’s behaviours and refine its properties.

If you would like to become a user of CSD-Enterprise, simply follow this link.

Who can benefit from using CSD-Materials?

  • Solid form experimentalists looking to optimizethe solid form properties of a potential new product

  • Crystallizationscientists who want to engineer new compositions

  • Crystallographers who need to determine a structure from powder diffraction data

  • Educators wanting to demonstrate the importance of structural chemistry in materials science for their students

CSD-Materials Applications

  • Explore with Mercury
    • Discover preferred intra- and intermolecular interactions and engineer changes to satisfy these requirements using Full Interaction Maps
    • Interpret crystal packing and compare with CSD data using powerful packing feature, similarity and motif searches, and hydrogen bond propensity analysis
    • Understand the effects of hydration on your lattice with the new hydrate analyser
    • Explore the structures of potential co-crystals using the new molecular complementarity tool
    • Explore solid state molecular geometry using the new CSD-driven Conformer Generator – unique because all results are validated by all the latest experimental data from the CSD
    • Communicate your results with new high impact graphics and 3D printing support, highlighting lattice void spaces and channels
  • Determine structures with DASH
    • Solve your powder crystal structure using CSD data
  • Connect with the CSD Python API (Application Programming Interface)
    • Create, or download from our portal, CSD-driven analyses and workflows. Publish them to your own menu in Mercury

What’s new for CSD-Materials 2017?

  • In line with our quality and usability push, we’ve made a number of improvements based on work with our Crystal Form Consortium including:
    • Enhancements to the graphical user interface for studying crystal packing similarity and dissimilarity
    • Significant advances in the layout and usability of the Hydrogen Bond Propensity application
  • Watch out, too, for new application videos for CSD-Materials, to help all users make the most of its powerful functionality.

Brochure

Brochure

Datasheet

Datasheet

Newsletter

Newsletter

Components

Components

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