Report 2007-2008

With no ECM in 2008, and given our stated aim that SIG-13 activities should largely revolve around ensuring that the area of Molecular Structure and Chjemical Properties is well represented at existing major Crystallographic meetings, this is a less busy year. However, one of the SIG-13 Chairs, Professor Carlo Mealli, was ex-officio member of the Programme Committee for the Osaka IUCr Congress in 2008. While the SIG-13 input was very informal on this occasion, we note that many of the sessions reflect the interests of those whom the SIG seeks to represent. SIG-13 input to ECM-25 Istanbul 2009 is currently being discussed.

We thus continue to represent the interests of a large community of chemical crystallographers in ensuring the work of this “core” area in our science is adequately represented in the programmes of major crystallographic meetings.

Representation on ECM Programme Committees

SIG-13 has been represented on ECM Programme Committees since 2003 by its organisers and co-chairs Prof Fernando Lahoz (Zaragoza), Prof Carlo Mealli (Florence) and Prof Chick Wilson (Glasgow), and for ECM-25 in Istanbul by Professor Susan Bourne (Cape Town).

Dissemination of Information

Web-site

A SIG-13 Web-site has been created, to reflect the work of the SIG. This can be found at www.ecasig13.org. The web-site enhances the dissemination of our aims and activities.

The coordinators ensure that the SIG-13 remit and aims are communicated informally within our wide range of relevant contacts. The healthy attendance at relevant sessions organised by SIG-13 or in its area of remit, emphasise that the aims of the SIG are being achieved through these informal routes.

We have planned in the past for the establishment of an Advisory Group of colleagues interested in the work of the Special Interest Group. To date this network has been established on a very informal basis; we will discuss this option further, but are aware that our community is diverse and wide-ranging and feel their interests are best served by ensuring representation of their interests in the programmes of major crystallography meetings. We are planning for succession in representing the area of Molecular Structure and Chemical Properties within ECA, as the three co-Chairs have taken responsibility for SIG-13 operation since its inception.

SIG-13 reports on its activities annually to the Council of the European Crystallographic Association; these annual reports are available on the Web-page.

SIG-13 Membership

SIG-13 membership is informal and fluid; we hope and believe that interested members of the community appreciate the efforts we make in ensuring their research areas are represented within European crystallography.

Professor Chick Wilson, Coordinator

On behalf of the Co-Chairs Professor Fernando Lahoz, Professor Carlo Mealli & Professor Chick Wilson

July 2008

 

Report 2006-2007

ECA SIG-13 is the Special Interest Group of the European Crystallographic Association representing the area of Molecular Structure and Chemical Properties – often known as Chemical Crystallography. Established in 2003, the founding statement of ECA SIG-13 reflects its remit of representing the broad range of applications of Crystallographic methods in the areas of Chemical Structure and Molecular Properties. The main focus of the ECA SIG-13 is to represent the very broad community in its area of remit in ensuring a good representation of appropriate sessions at European Crystallographic Meetings (held annually, except in the years of the triennial IUCr Congresses).

ECA SIG-13 has been inaugurated and organised by three co-chairs since its inception. The three chairs have interests over an appropriately wide range of the scientific coverage of the Special Interest Group. They are: Professor Fernando Lahoz (Zaragoza), Professor Carlo Mealli (Firenze), Professor Chick Wilson (Glasgow).

In the years since its inauguration, SIG-13 has had significant input into the scientific programme of the ECM meetings in Durban (ECM-21; 2003); Budapest (ECM-22; 2004) and Leuven (ECM-23; 2006); the views of the SIG were also represented at the IUCr meeting in Florence (IUCrXX; 2005). SIG-13 has been represented on these committees by its organisers and co-chairs Prof Fernando Lahoz (Zaragoza), Prof Carlo Mealli (Florence) and Prof Chick Wilson (Glasgow).

ECM-24

There is a significant degree of input from SIG-13 at the forthcoming ECM-24 meeting in Marrakech, Morocco. ECA SIG-13 has organised or co-organised the following Keynote Lectures and Microsymposia at the ECM-24 European Crystallographic Meeting:

Keynote Lectures

Leonard Barbour, From small molecules to extended structures

Chick Wilson, The future potential of neutron diffraction studies in small molecule crystallography

Microsymposia

MS13 Supramolecular coordination chemistry

Chair: Fernando Lahoz, Co-chair: Andre Roodt

MS14 Advanced computational methods in structural chemistry

Chair: Noureddine Ghermani, Co-chair: Angelo Gavezzotti

MS16 Functional cr4ystallography: tuning molecular behaviour

Chair: Joel Bernstein, Co-chair: Demi Levendis

MS29 Advanced applications of the CSD in molecular crystallography

Chair: Frank Allen, Co-chair: Guy Orpen

Pressure on the number of sessions has again meant that not all sessions proposed by SIG-13 were accepted for the ECM-24 scientific programme. As usual, we anticipate high attendance at sessions relevant to the SIG-13 community, ensuring this core area of European (and world) crystallography is represented at the Conference.

SIG-13 Membership

SIG-13 membership is informal and fluid; we hope that interested members of the community appreciate the efforts we make in ensuring their research areas are represented within European crystallography. The coordinators ensure that the message is communicated within our wide range of relevant contacts. The web-site enhances the dissemination of our aims and activities.

As SIG-13 becomes a mature group, it is hoped that an Advisory Group of colleagues interested in the work of the Special Interest Group will be formed.

Web-site

The SIG-13 Web-site will evolve to reflect the work of the SIG. This can be found at www.ecasig13.org

Chick Wilson, University of Glasgow, SIG-13 co-ordinator

July 2007

Report 2005-2006

ECA SIG-13 is the Special Interest Group of the European Crystallographic Association representing the area of Molecular Structure and Chemical Properties -often known as Chemical Crystallography. Established in 2003, the founding statement of ECA SIG-13 reflects its remit of representing the broad range of applications of Crystallographic methods in the areas of Chemical Structure and Molecular Properties. The main focus of the ECA SIG-13 is to represent the very broad community in its area of remit in ensuring a good representation of appropriate sessions at European Crystallographic Meetings (held annually, except in the years of the triennial IUCr Congresses).

ECA SIG-13 has been inaugurated and organised by three co-chairs since its inception. The three chairs have interests over an appropriately wide range of the scientific coverage of the Special Interest Group. They are:

• Professor Fernando Lahoz (Zaragoza),
• Professor Carlo Mealli (Firenze),
• Professor Chick Wilson (Glasgow).

In the years since its inauguration, SIG-13 has had significant input into the scientific programme of the ECM meetings in Durban (ECM-21; 2003) and Budapest (ECM-22; 2004); the views of the SIG were also represented at the IUCr meeting in Florence (IUCrXX; 2005), where we also co-organised a Workshop on Small Molecule Crystallisation (with ECA SIG-7). SIG-13 has been represented on these committees by its organisers and co-chairs Prof Fernando Lahoz (Zaragoza), Prof Carlo Mealli (Florence) and Prof Chick Wilson (Glasgow).

ECM-23

There is a significant degree of input from SIG-13 at the forthcoming ECM-23 meeting in Leuven, Belgium. ECA SIG-13 has organised or co-organised the following Plenary Lectures and Microsymposia at the ECM-23 European Crystallographic Meeting:

Plenary Lectures

Gastone Gilli (also SIG-7), Modern hydrogen bonding theory, Chair: Roland Boese

Lee Brammer, Halogen-mediated supramolecular chemistry in the solid state, Chair: André Roodt

Israel Goldberg, Crystal engineering of porphyrin network materials, Chair: Giuseppe Filippini

Microsymposia

MS28 Supramolecular compounds and assemblies Chair: Petra Bombicz, Co-chair: Jean-Marc Planeix, Main Speakers: Christer B. Aakeröy, Mino R. Caira.

MS29 Advanced methods for computer simulation of molecular crystals Chair: Graeme Day, Co-chair: Davide Viterbo, Main Speakers: Panagiotis G. Karamertzanis, Bartolomeo Civalleri

MS41 Structural coordination chemistry Chair: Enrique Gutierrez-Puebla, Co-chair: Marie-Rose Spirlet, Main Speakers: Ernesto Carmona, Yann Garcia

MS42 Structure-property relationships in molecular crystals Chair: Chick Wilson, Co-chair: Leonard Barbour, Main Speakers: Luigi R Nassimbeni, Joel Bernstein

Pressure on the number of sessions meant that not all sessions proposed by SIG-13 were accepted for the ECM-23 scientific programme. Given the usual high attendance at sessions relevant to the SIG-13 community, we would like to raise this issue and ensure this core area of European (and world) crystallography is represented appropriately.

ECM-24

The SIG is currently discussing its likely input to ECM-24 Marrakesh.

SIG-13 Membership

SIG-13 membership is informal and fluid; we hope that interested members of the community appreciate the efforts we make in ensuring their research areas are represented within European crystallography. The newly established web-site will ensure the dissemination of our aims and activities.

As SIG-13 becomes a mature group, it is hoped that an Advisory Group of colleagues interested in the work of the Special Interest Group will be formed in 2006.

Web-site

A SIG-13 Web-site has been created, which will evolve to reflect the work of the SIG. This can be found at www.ecasig13.org. It is hoped to appoint a scientific secretary to the SIG before the end of 2006.

Chick Wilson, University of Glasgow
SIG-13 co-ordinator
July 2006

 

Report 2004-2005

With no ECM to plan for in 2005, the main activity of SIG-13 has been the co-organisation of the IUCr satellite workshop (#5) on small molecule crystallisation (with SIG-7). Thanks are due to the main organisers of this meeting, Paola Gilli and Martin Schmidt. This workshop aims to cover the theory and experimental techniques for the crystallization of molecular inorganic, organic and organometallic compounds. The topics being discussed include thermodynamic and kinetic factors in nucleation and crystal growth, crystallization techniques (including non-ambient methods), in-situ crystallization of liquids and gases, co-crystallization (mixed crystals, solid solution, host-guest systems), methods for growing large single crystals, and polymorph screening. We anticipate good attendance and an interesting workshop in this important area.

We have also been active in promoting our area within the IUCr programme, and note that there are many sessions relevant to SIG-13 interests taking place in Florence. We have made a range of suggestions for sessions at ECM-24 in Leuven, and we hope to have an extensive programme at that meeting which will be of interest to those whose interests are allied to those of our SIG.

We continue to represent the interests of a large community of chemical crystallographers in ensuring the work of this “core” area in our science is adequately represented in the programmes of major crystallographic meetings.

Professor Chick Wilson

University of Glasgow

co-Chair, SIG-13