Conference Agenda

Session
MS-67: Crystallization mechanisms of small molecule systems
Time:
Thursday, 19/Aug/2021:
2:45pm - 5:10pm

Session Chair: Duane Choquesillo-Lazarte
Location: Terrace 2B

100 2nd floor

Invited: Ian Rosbottom (UK)Aurora Cruz-Cabeza (UK)


Session Abstract

For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below.


Introduction
Presentations
2:45pm - 2:50pm
ID: 1798 / MS-67: 1
Introduction
Oral/poster

Introduction to session

Duane Choquesillo-Lazarte



2:50pm - 3:20pm
ID: 1327 / MS-67: 2
All topics
Invited lecture to session
MS: Crystallization mechanisms of small molecule systems
Keywords: Crystal Growth, Crystal Nucleation, Molecular Flexibility, Aromatic Stacking

CAN MOLECULAR FLEXIBILITY CONTROL CRYSTALLISATION?

Aurora Cruz-Cabeza

University of Manchester, Manchester, United Kingdom



3:20pm - 3:50pm
ID: 1581 / MS-67: 3
All topics
Invited lecture to session
MS: Crystallization mechanisms of small molecule systems
Keywords: Pharmaceuticals, Crystallisation, Polymorphism, Ritonavir

Molecular, Solid-State and Surface Structures of the Conformational Polymorphic Forms of Ritonavir in Relation to their Physicochemical Properties

Ian Rosbottom

School of Chemical and Process Engineering, University of Leeds, LS2 9JT



3:50pm - 4:10pm
ID: 827 / MS-67: 4
Chemical crystallography, crystal structures
Oral/poster
MS: New trends in pharmaceutical materials, Non-covalent interactions in crystal engineering, Crystallization mechanisms of small molecule systems
Keywords: Pre-nucleation aggregation; pharmaceuticals; multi-component

Bridging the nucleation step – the link of molecular interactions in dilute solutions and the crystal structure

Katharina Edkins

University of Manchester, Manchester, United Kingdom



4:10pm - 4:30pm
ID: 940 / MS-67: 5
All topics
Oral/poster
MS: Solid state reactions and dynamics, Crystal chemistry with emerging technology, Polymorphism and structural transformation of organic crystals from synthesis to characterization, New trends in pharmaceutical materials, Crystallization mechanisms of small molecule systems
Keywords: pharmaceutical cocrystals; hot melt extrusion; mechanochemistry; polymorphism; polymers

Controlling polymorphism of pharmaceutical cocrystals via polymer assisted cocrystallization in continuous processes

Anna Magdalena Gołkowska, Marta Maria Kozakiewicz, Karol Przemysław Nartowski

Department of Drug Forms Technology, Wroclaw Medical University, Wroclaw, Poland



4:30pm - 4:50pm
ID: 919 / MS-67: 6
Chemical crystallography, crystal structures
Oral/poster
MS: New trends in pharmaceutical materials, Crystallization mechanisms of small molecule systems
Keywords: single crystal growth, crystallization, salt screening

Crystallization of anionic small molecules with the help of a cation screen

Ekaterina Slyshkina, Jaclyn Parris, Bernhard Spingler

University of Zurich, Zurich, Switzerland



4:50pm - 5:10pm
ID: 780 / MS-67: 7
Methods and instruments
Oral/poster
MS: Structure solution and poorly crystalline materials, Crystallization mechanisms of small molecule systems, Recent advances in electron crystallography techniques, Combination of X-ray and electrons for structure characterization, Application of electron crystallography to functional materials
Keywords: co-crystal, electron diffraction, artificial intelligence, crystallisation, solubility

The Future of Co-crystallisation: A New Workflow Based on AI Predictions, the Crystal16 Platform and Electron Diffraction

Danny Stam1,2, Carmen Guguta1, Arianna Lanza2, Gustavo Santiso-Quinones2, Gunther Steinfeld2, Doriana Ungur3, Coca Iordache3, Mihaela Pop3

1Technobis Crystallization Systems B.V., Alkmaar, The Netherlands; 2ELDICO Scientific AG, 5234 Villigen, Switzerland; 3TeraCrystal, Cluj Napoca, Romania