Monday 28 November 2022 – Saturday 03 December 2022

CCDC is pleased to support LACA 2022, at which we will host a workshop on using the CSD to assess structural forms and polymorphism utilizing functionality in CSD-Materials. 

LACA 2022 - CCDC Workshop

Date: December 1st

Time : 15:30–18:30 (Local time)

Introduction to the CSD and CSD tools for polymorph assessment and prediction

Structural databases such as the Cambridge Structural Database (CSD) contain a wealth of information that can be used to derive new knowledge. In particular, accessing and interrogating the data in the CSD enables scientists to design and assess the stability of solid forms during early stages of the development process.

In this session, we will first introduce you to the CSD and will show you how you can use small molecule structural data in your research and teaching. We will explore the value of one million crystal structures and include case studies of harnessing the CSD to help you search, visualise and analyse this wealth of structural data using our associated software.

Then, we will introduce you to CSD-Materials, which has components to perform sophisticated analysis and prediction of molecular geometry, intermolecular interactions, and crystal packing. You will learn more about solid state analysis and how to better understand intermolecular interactions, assess structural stability for different polymorphs through using tools such as Full Interaction Maps and Hydrogen Bond Statistics and more.

You will get the opportunity to use the software and hands-on exercises will be provided should you want to explore the CSD further. Along the way you will also learn tips and tricks to create publication ready images using Mercury.

 

Find out more: Congreso Química 2022