X-Ray Diffraction Unit

Unit Manager:
Dr. Jordi Benet-Buchholz

Laboratory Manager:
Dr. Eduardo Escudero

Unit Technicians:
Dr. Marta Martínez
Dr. Pratapa Siriyara (until June)

Summary

In the following Chart you can see the evolution of the Unit in terms of samples managed.

Single Crystal X-Ray Structure Determination

The renewed OHCD Laser was used for the preparation of some single crystals. For example, a new series of Pharmaceutical Co-Crystals were prepared using this system. Additionally, the OHCD was used for the crystallization of different model molecules (Toluene, Trifluoro-Toluene, etc…) which were measured using high resolution, with the aim to perform Charge Density Analysis.

The expertise of the X-ray Diffraction Unit on preparing highly sensitive samples was successfully applied for different samples prepared by ICIQ researchers.

Regarding powder X-ray diffraction, the number of PXRD patterns measured in 2018 were 5123. This number of PXRD patterns corresponds to the fourth highest since 2004. Additionally, the X-ray Diffraction Unit measured in ALBA Synchrotron in relation to limit of detection of polymorphs in pharmaceutical products. The measurements of variable temperature are still requested and 8 measurements were performed.

Training

  1. Invited talk at the University of Duisburg- Essen (Annual Meeting of the German Crystallographic Society) about “New developments using the “in situ” crystallization with a CO2-Laser”; Dr. Jordi Benet (March).
  2. Experimental workshop in the International School of Crystallization in Granada; Dr. Jordi Benet (May).
  3. Seminar in the “Crystallography School” Jordi Benet (June).
  4. Seminar about “Crystallization Protocol to Obtain Single Crystals” at ICIQ, Jordi Benet (November).

Outreach

  1. Dr. Jordi Benet participates in the “Bojos per la Química” programme.
  2. Talk entitled “Els cristalls de la xocolata” as paert of the program “La Ciència de la Xocolata” (Dr. Marta Martínez, 15th March).