Hot Highlight: Porous organic molecular materials

Metal–organic frameworks are materials containing coordination bonds between organic linkers and metal ions or clusters, exclusion of guest molecules in the structure can create a highly porous material with potential for gas storage, gas separation or catalysis. Other well studied nanoporous materials include zeolites, metal oxide molecular sieves, silica gels, activated carbons, covalent organic frameworks and organic network polymers.

This highlight from Jian Tian, Praveen K. Thallapally and B Peter McGrail from Pacific Northwest National Laboratory reviews a very different class of nanoporous material, those comprised entirely of discrete organic molecules containing only weak non-covalent interactions. Often there is very close packing in the crystals (with voids or channels rarely exceeding 25 Angstroms) but under the right conditions solvents can be included within the structure in zero, one, two or three dimensional solvent accessible voids.

If the solvent can be easily removed from the structure highly porous crystalline materials can be made  from organic compounds, the difficulty however is that upon desolvation the crystals often collapse into closely packed structures. This review discusses a wide range of structures which have been found to be stable as porous organic molecular materials, including crystalline structures with voids and amorphous solids with interconnected disordered pores. Read the CrystEngComm Hot Article (which is free to access for 4 weeks) for more details.

Porous organic molecular materials
Jian Tian, Praveen K. Thallapally and B Peter McGrail
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06457J, Highlight

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2012 GRC on Crystal Engineering

Christer Aakeroy, co-Vice Chair of the GRC

The 2012 GRC on Crystal Engineering is taking place this year from June 10-15, 2012 at Waterville Valley Resort, NH, USA. This GRC will be chaired by Robin Rogers, with co-Vice-Chairs Mike Zaworotko and CrystEngComm Associate Editor, Christer Aakeroy. The meeting will also include a new and exciting Gordon Research Seminar (GRS) in which only students and postdocs may present or lead discussions.  More information is available on the GRC website.

The 2012 GRC on Crystal Engineering follows the highly successful first ever GRC on Crystal Engineering (2010) which had over 160 international participants. Read about my experience at the excellent 2010 GRC in this editorial.

 

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Top ten most accessed articles in November

This month sees the following articles in CrystEngComm that are in the top ten most accessed:-

Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands 
Jian-Jr Cheng, Ya-Ting Chang, Chia-Jun Wu, Yi-Fen Hsu, Chia-Her Lin, Davide M. Proserpio and Jhy-Der Chen 
CrystEngComm, 2012, 14, 537-543 DOI:10.1039/c1ce06019h 

Construction of helical networks by using multiple V-shaped mixed ligand systems 
Arijit Goswami, Satirtha Sengupta and Raju Mondal 
CrystEngComm, 2012, 14, 561-572 DOI:10.1039/c1ce05380a 

Axially chiral metal-organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand 
Xin Tan, Jixian Zhan, Jianyong Zhang, Long Jiang, Mei Pan and Cheng-Yong Su 
CrystEngComm, 2012, 14, 63-66 DOI:10.1039/c1ce05995e 

Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid 
Ling-Ling Qu, You-Long Zhu, Jun Zhang, Yi-Zhi Li, Hong-Bin Du and Xiao-Zeng You 
CrystEngComm, 2012, Advance Article DOI:10.1039/c1ce05931a 

Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties 
Guo-Qiang Kong and Chuan-De Wu 
CrystEngComm, 2012, Advance Article DOI:10.1039/c1ce06052j 

A new type of 3D [(MII)2(TCNQ-II)3]2- coordination network with spacious channels of hexagonal cross-section generated from TCNQH2 
Brendan F. Abrahams, Robert W. Elliott, Timothy A. Hudson and Richard Robson 
CrystEngComm, 2012, 14, 351-354 DOI:10.1039/c1ce06104f 

Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties 
Kou-Lin Zhang, Chuan-Tao Hou, Jing-Jing Song, Ye Deng, Liang Li, Seik Weng Ng and Guo-Wang Diao 
CrystEngComm, 2012, 14, 590-600 DOI:10.1039/c1ce05577a 

Novel tetrazole-based metal?organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties 
Lin Sun, Li Ma, Jin-Biao Cai, Li Liang and Hong Deng 
CrystEngComm, 2012, Advance Article DOI:10.1039/c1ce05829k 

Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer 
Ritesh Haldar and Tapas Kumar Maji 
CrystEngComm, 2012, 14, 684-690 DOI:10.1039/c1ce05847a 

Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU 
Xian-Qiang Li, Hua-Bin Zhang, Shu-Ting Wu, Jian-Di Lin, Ping Lin, Zhi-Hua Li and Shao-Wu Du 
CrystEngComm, 2012, Advance Article DOI:10.1039/c1ce06111a 

Why not take a look at the articles today and blog your thoughts and comments below.

Fancy submitting an article to CrystEngComm? Then why not submit to us today or alternatively email us  your suggestions.

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Hot Article: Polar Crystals

‘To get a polar crystal is still a challenging task,’ say Roberto Centore and colleagues. However in their CrystEngComm Hot article they in fact tell us about the discovery of a new class of non-chiral compounds forming polar crystal structures.

Their compounds are made by condensation of 4-hydroxybenzohydrazide with a variety of non-chiral aliphatic ketones, both cyclic and acyclic, such as methyl-ethylketone, acetone, cyclohexanone and cyclobutanone and all of them exhibit second harmonic generation (SHG) activity. In one case, they found that solid state polymorphism characterized by single-crystal-to-single-crystal transitions between polar phases was taking place.

Read their paper now – free to access until the 4th February:

A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases
Roberto Centore, Mojca Jazbinsek, Angela Tuzi, Antonio Roviello, Amedeo Capobianco and Andrea Peluso
CrystEngComm, 2012, DOI: 10.1039/C2CE06352B

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Building with Bucky-Blocks

Building with Bucky-Blocks2D and 3D coordination networks with fullerene guests are promising candidates for superconducting materials, with potential applications in gas and information storage.

Edwin Constable and colleagues at the University of Basel, Switzerland have reported the intercalation of a fullerene molecule into a network containing octahedral nickel nodes. Using a layering technique, crystals of 1,2-dichlorobenzene and fullerene templated nickel coordination networks were grown and characterised by IR spectroscopy and single crystal X-ray diffraction. The encapsulation of fullerene results in the assembly of [3 + 3] macrocycles, connected into 2-dimensional sheets through the nickel nodes and fullerene-free [6 + 6] macrocycles.

Read the full paper to find out more, and to see the pretty structures!


Bucky-blocks: templating a coordination network with C60
Edwin C. Constable, Guoqi Zhang, Catherine E. Housecroft and Jennifer A. Zampese
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06156B

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HOT Communication: Enhancing the clinical performance of tadalafil through crystal engineering

Pharmaceutical cocrystals of tadalafil with methylparaben, propylparaben and hydrocinnamic acid were investigated.

Pharmaceutical cocrystals of tadalafil with methylparaben, propylparaben and hydrocinnamic acid were investigated.

A team from the United States report their study on the hydrogen bonding motifs in tadalafil cocrystals with the aim to produce a drug with enhanced solubility for better oral drug absorption.  Tadalafil, currently used for the treatment of erectile dysfunction, is being explored as a treatment for pulmonary arterial hypertension so would be more useful for this application if the time taken to reach its peak plasma concentration was shorter.

To find out more, download this CrystEngComm communication today…

Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs
David R. Weyna, Miranda L. Cheney, Ning Shan, Mazen Hanna, Lukasz Wojtas and Michael J. Zaworotko
CrystEngComm, 2012
DOI: 10.1039/C2CE06574F

The communication by Zaworotko et al. will be published later in the year as part of a themed issue on crystal engineering in the pharmaceutical industry.  Below is a selection of papers also due to be included in this themed issue:

Covalent assistance to supramolecular synthesis: modifying the drug functionality of the antituberculosis API isoniazid in situ during co-crystallization with GRAS and API compounds
Andreas Lemmerer
CrystEngComm, 2012
DOI: 10.1039/C1CE06310C

Effect of dehydration on the mechanical properties of sodium saccharin dihydrate probed with nanoindentation
M. S. R. N. Kiran, Sunil Varughese, U. Ramamurty and Gautam R. Desiraju
CrystEngComm, 2012
DOI: 10.1039/C1CE05656E

Solid state chemistry of the antibiotic doxycycline: structure of the neutral monohydrate and insights into its poor water solubility
Alexandre O. Legendre, Laila R. R. Silva, Douglas M. Silva, Iara M. L. Rosa, Lilian C. Azarias, Polyana J. de Abreu, Magali B. de Araújo, Person P. Neves, Claudia Torres, Felipe T. Martins and Antonio C. Doriguetto
CrystEngComm, 2012
DOI: 10.1039/C1CE06181J

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American Crystallographic Association Annual Meeting 2012

American Crystallographic Association Annual Meeting 2012

The annual meeting of the American Crystallographic Association will be held 28th July – 1st August 2012, in Boston, Massachusetts, at the Westin Waterfront Hotel.

The deadline for abstracts to be considered for oral presentations and posters is 31st March 2012, to be submitted online. 40% of all talks will be from contributed abstracts.

Scientific sessions are organized by the 12 Scientific Interest Groups (SIGs) within the Association, covering a diverse range of crystallography. There are four award presentations and lectures scheduled, including John Spence (Buerger award), Paul Fenter (Warren award), Ron Hamlin (Supper Instrumentation Award), and Emmanuel Skordalakes (Etter Early Career Award). The meeting will be preceeded by a series of workshops covering data refinement and crystallographic education.

Registration is now open! Book now to take advantage of the Early Bird Rate, which will close on 31st May 2012. The deadline for travel grants for students and young scientists is 31st March 2012.

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100th Anniversary of crystal X-ray diffraction

2012: celebrating the 100th anniversary of the discovery of the diffraction of X-rays on crystals…..

As lots of you may already know this year is the 100th anniversary of Max Laue’s discovery of the diffraction of X-rays on crystals! German chemist Laue published a paper on his findings in 1912 and was awarded the Nobel Prize for Physics in 1914. According to his Nobel Lecture (as detailed on the Nobel Prize website), the discovery originated when he was discussing problems related to the passage of waves of light through a periodic, crystalline arrangement of particles. The idea then came to him that the much shorter electromagnetic rays, which X-rays were supposed to be, would cause in such a medium some kind of diffraction or interference phenomena and that a crystal would provide such a medium. More information about Laue and his intriguing story can be found on the Nobel website.

Of course crystallography has come a long way since then as we see in CrystEngComm every day. For example, many groups are now even looking at x-ray diffraction of crystals under pressure as featured in our recent themed issue.

I’m sure there are many events happening around the world to commemorate this discovery – one which has already come to my notice is at the 20th Annual Meeting of the German Crystallographic Society which will be held at the University of Munich, 12-15 March, 2012. In a dedicated ‘Laue Day’ they plan to analyze historical and future perspectives of diffraction methods.

If you are planning to hold an event to highlight the anniversary why not let us know by posting a comment on this blog post below……

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Call for Papers: Post-synthetic Modification of Coordination Networks

Find how you can submit to the CrystEngComm upcoming themed issue on post-synthetic modification of coordination networks…

We are pleased to announce an upcoming themed issue on post-synthetic modification of coordination networks, guest edited by Andy Burrows and Seth Cohen. It is our pleasure to invite you to contribute to this themed issue.

Post-synthetic modification is becoming an increasingly important technique in preparing functional network structures.  This Themed Issue will highlight the current status of this rapidly growing and evolving area, as well as mapping out future directions.  When considering articles for this themed issue, the terms ‘post-synthetic modification’ and ‘coordination network’ will be taken in their broadest senses, so while postsynthetic modifications can involve covalent bond forming and breaking, they can alternatively refer to making or breaking coordination bonds or other framework changes.  Coordination networks can include any extended structure based on coordination bonds, including coordination polymers and metal-organic frameworks. 

How to submit?

All types of manuscript, Communications, Full Papers and Highlights, will be considered for publication. We aim to publish this themed issue in the second half of 2012 and therefore would like to receive manuscripts by 31st January 2012. The manuscript should be prepared according to the format for regular articles and should be submitted via our online system. All invited manuscripts will be subject to the normal refereeing procedure.

Read some related CrystEngComm Highlight articles:

Discovery, development, and functionalization of Zr(IV)-based metal–organic frameworks Min Kim and Seth M. Cohen
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06491J

Mixed-component metal–organic frameworks (MC-MOFs): enhancing functionality through solid solution formation and surface modifications Andrew D. Burrows
CrystEngComm, 2011, 13, 3623-3642
DOI: 10.1039/C0CE00568A

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Polymorphs and proline: implications for polymorphic screening in Pharma

The particular form a crystalline drug takes is highly relevant in the pharma industry as different crystal forms often have different properties such as dissolution rates or stabilities. Though crystallisation processes are commonplace in the production of enantiopure drugs, the way in which one enantiomer can affect the crystallisation of another has not be thoroughly studied.

In their recent CrystEngComm Hot Article, Munson and Berendt carry out such a study investigating proline enantiomers in a range of enantiomeric ratios. They determine that both the enantiomeric ratio and crystallization method influenced the polymorphism of the racemic cocrystal. Read how their work will have implications for current polymorphic screening methods used in the pharma industry in their article:

Effect of enantiomeric ratio and preparation method on proline crystal form
Robert T. Berendt and Eric J. Munson
CrystEngComm, 2012, DOI: 10.1039/C2CE06445F

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