Conference Program
 
Crystal Engineering
June 6-11, 2010
Waterville Valley Resort
Waterville Valley, NH
Chair:
Gautam R. Desiraju

Vice Chair:
Robin D. Rogers

Application Deadline
Applications for this meeting must be submitted by May 16, 2010. Please apply early, as some meetings become oversubscribed (full) before this deadline. If the meeting is oversubscribed, it will be stated here. Applications will still be accepted for oversubscribed meetings. However, they will only be considered by the Conference Chair if more seats become available due to cancellations.

Crystal engineering is the design and synthesis of functional solid-state structures, based on a bottom-up approach from smaller building blocks such as neutral organic molecules, and organic or inorganic ions. It is convenient to identify the following main sub-divisions of this subject: (1) the study of intermolecular interactions; (2) the use of these interactions in the design strategy; (3) fine-tuning of crystal structure for property optimization. Typical design strategies use hydrogen bonds and coordination bonds, which define sub-structural units that are called respectively, supramolecular synthons and secondary building units. Crystal engineering is a fascinating and new subject that has many practitioners. It has strong overlap with supramolecular chemistry, X-ray crystallography, materials science and solid-state chemistry and yet it is a distinct discipline in itself. The subject goes beyond the traditional divisions of organic, inorganic and physical chemistry, and this makes for a very eclectic blend of ideas, techniques and strategies. Included within its scope are organic molecular crystals and metal-organic framework solids.

The purpose and scope of the Gordon Research Conference is to provide a forum for the discussion of the current state of the art of this rapidly evolving, highly interdisciplinary field of crystal engineering, to identify and debate open questions, and to point out new promising research directions. The conference will bring together experts with a diverse background and will consist of the following sessions:

  • Design strategies for molecular organic solids
  • Co-ordination Polymers -- Structure
  • Co-ordination Polymers -- Function
  • Polymorphism and Crystal Structure Prediction
  • Formation of Crystals
  • Process Development and Scale-Up
  • Organic Reactions in the Solid State
  • Two-Dimensional Crystal Engineering
  • The Future

Contributors
Alkermes,Inc.
Bristol Myers Squibb Company
International Union of Crystallography
National Science Foundation
Sepracor,Inc.
Cambridge Crystallographic Data Centre
Vertex Pharmaceuticals, Inc.

SUNDAY
2:00 pm - 9:00 pmArrival and Check-in (Office Closed 6:00 pm - 7:00 pm)
6:00 pmDinner
7:30 pm - 7:40 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pmORGANIC DESIGN STRATEGIES
Discussion Leader: M J Zaworotko (U South Florida)
7:40 pm - 8:20 pmJ D Wuest (U Montreal)
"The expanding scope of crystal engineering"
8:20 pm - 8:35 pm Discussion
8:35 pm - 9:15 pm L Infantes (CSIC Madrid)
"Functional group competition and preferences in the formation of hydrates"
9:15 pm - 9:30 pm Discussion
MONDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmCOORDINATION POLYMERS (STRUCTURE)
Discussion Leader: M P Suh (Seoul Natnl U)
9:00 am - 9:40 amR Robson (U Melbourne)
"Coordination polymers: past, present and future"
9:40 am - 10:00 am Discussion
10:00 am Coffee Break / Group Photo
10:30 am - 11:10 amX -M Chen (Sun Yat-Sen U)
"Co-ordination polymers: structural flexibility"
11:10 am - 11:30 am Discussion
11:30 am - 12:10 pmJ R Long (UC Berkeley)
"Hydrogen storage in metal-organic frameworks"
12:10 pm - 12:30 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmCOORDINATION POLYMERS (FUNCTION)
Discussion Leader: M J Rosseinsky (U Liverpool)
7:30 pm - 8:10 pmG Férey (U Versailles)
"The use of coordination polymers as nanocarriers for the storage and delivery of anti-cancer and anti HIV drugs and imaging"
8:10 pm - 8:30 pm Discussion
8:30 pm - 9:10 pmS Kitagawa (U Kyoto)
"Integrated pores and multifunctionalities of porous coordination polymers"
9:10 pm - 9:30 pm Discussion
TUESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmPOLYMORPHISM AND CRYSTAL STRUCTURE PREDICTION
Discussion Leader: J Bernstein (Ben Gurion U)
9:00 am - 9:40 amC Pulham (U Edinburgh)
"Exploring polymorphism in molecular materials using high pressure"
9:40 am - 10:00 am Discussion
10:00 am Coffee Break
10:30 am - 11:10 amA J Matzger (U Michigan)
"Generating solid form diversity"
11:10 am - 11:30 am Discussion
11:30 am - 12:10 pmS L Price (UCL)
"Computed crystal energy landscapes for understanding and predicting organic crystal structures"
12:10 pm - 12:30 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmCRYSTALLIZATION FUNDAMENTALS
Discussion Leader: A S Myerson (Illinois Inst Tech)
7:30 pm - 8:10 pmP Vekilov (UT Houston)
"The mechanism of nucleation of crystals in solution"
8:10 pm - 8:30 pm Discussion
8:30 pm - 9:10 pmR J Davey (U Manchester)
"Nucleation - where solution chemistry meets crystallography"
9:10 pm - 9:30 pm Discussion
WEDNESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmPROCESS CHEMISTRY AND SCALE-UP (PHARMACEUTICALS)
Discussion Leader: Ö Almarsson (Alkermes)
9:00 am - 9:20 amV Liotta (Merck)
"Phase change risks in the scale up of API agitated drying processes"
9:20 am - 9:30 am Discussion
9:30 am - 9:50 amM Hickey (Alkermes)
"solid-state properties and stability of quaternary ammonium salts - Implications for pharmaceutical product development"
9:50 am - 10:00 am Discussion
10:00 am Coffee Break
10:30 am - 11:00 amM Peterson (Amgen)
"Co-crystals, crystal engineering and pharmaceuticals"
11:00 am - 11:20 am Discussion: Interactions and interdependencies of process chemistry, crystal engineering and pharmaceutical formulation
11:20 am - 12:10 pmP Connelly (Vertex)
"Materials science in pharmaceutical R&D"
12:10 pm - 12:30 pm Discussion: Impact of materials science and crystal engineering in product development, issues and opportunities for the future
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:00 pm - 7:30 pmBusiness Meeting
(Nominations for the next Vice Chair; Fill out Conference Evaluation Forms; Discuss future Site & Scheduling preferences; Election of the next Vice Chair)
7:30 pm - 9:30 pmORGANIC REACTIONS IN THE SOLID STATE
Discussion Leader: L R MacGillivray (U Iowa)
7:30 pm - 8:10 pmJ N Moorthy (Indian Inst Tech Kanpur)
"Photoinduced enolization, isomerization and cyclization reactions in the solid state"
8:10 pm - 8:30 pm Discussion
8:30 pm - 9:10 pmG Kaupp (U Oldenburg)
"New horizons with solid-state reactions: sound, clear-cut, and valid predictions"
9:10 pm - 9:30 pm Discussion
THURSDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pm2D CRYSTAL ENGINEERING
Discussion Leader: N R Champness (U Nottingham)
9:00 am - 9:40 amS De Feyter (Catholic U Leuven)
"2D crystal engineering at the liquid-solid interface"
9:40 am - 10:00 am Discussion
10:00 am Coffee Break
10:30 am - 11:10 amP Samori (U Strasbourg)
"Pre-programmed molecular self-assembly at surfaces and interfaces: 2D nanoscale patterning of functional architectures"
11:10 am - 11:30 am Discussion
11:30 am - 12:10 pm Short Invited Talks (TBA)
12:10 pm - 12:30 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmTHE FUTURE. FRONTIERS OF CRYSTAL ENGINEERING
Discussion Leader: D Braga (U Bologna)
7:30 pm - 7:50 pmM Neumann (Avant-garde Materials Simulation)
"Crystal structure prediction: the future workhorse of crystal engineering?"
7:50 pm - 8:00 pm Discussion
8:00 pm - 8:20 pmJ Scott (JLS ChemConsult)
"Anti-crystal engineering; ionic liquids formed from active pharmaceutical ingredients"
8:20 pm - 8:30 pm Discussion
8:30 pm - 8:50 pmK Biradha (Indian Inst Tech Kharagpur)
"Synthon interference: boon or bane in crystal engineering?"
8:50 pm - 9:00 pm Discussion
9:00 pm - 9:20 pmP Erk (BASF AG)
"Crystal engineering of organic semiconductors"
9:20 pm - 9:30 pm Discussion
FRIDAY
7:30 am - 8:30 amBreakfast
9:00 amDepart

Last Updated: February 4, 2010