2012 – Page 11 – CrystEngComm Blog

Archive for 2012

Hot Article: Polar Crystals

10 Jan 2012

‘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

09 Jan 2012

Building with Bucky-Blocks 2D 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

09 Jan 2012

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

09 Jan 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

06 Jan 2012

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

06 Jan 2012

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

05 Jan 2012

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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HOT Highlight: Zr(IV)-based metal–organic frameworks

04 Jan 2012

This comprehensive Highlight by Min Kim and Seth Cohen outlines the discovery, development and functionalization of Zr(IV)-based metal–organic frameworks. MOFs in general have been widely studied and the potential in biotechnological applications, catalysis, chemical sensing, gas separation and gas storage is of great interest.

Zr(IV)-based MOFs were discovered in 2008 and in that short period substantial research has been undertaken with more than forty functionalised Zr(IV)-based MOFs discovered. This review looks in detail at the synthesis, functionalization and application of this relatively new addition to the MOF family. The authors note the great potential for Zr(IV)-based MOFs, including applications in catalysis, photo-chemical reactions and molecular separations.

To find out more access this article free for the next 4 weeks

This article will be published later in the year in a CrystEngComm themed issue focussing on post-synthetic modification of coordination networks.

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, Highlight

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This week’s CrystEngSelects

03 Jan 2012

Here is this week’s selection of advanced articles of interest to crystal engineers from across the RSC journals

Articles are chosen from:
ChemComm,
CrystEngComm,
Dalton Transactions,
Journal of Materials Chemistry,
New Journal of Chemistry,
Nanoscale,
Chemical Science.

Fluorene-based Cu(II)-MOF: a visual colorimetric anion sensor and separator based on an anion-exchange approach
Jian-Ping Ma, Yang Yu and Yu-Bin Dong
Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2CC16800F, Communication

Six-rayed star-like nanostructures in prospective plasmonic devices
Takumi Miyamoto, Shiomi Saito, Toshihiro Isobe, Akira Nakajima and Sachiko Matsushita
Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2CC16353E, Communication

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, Paper

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, Łukasz Wojtas and Michael J. Zaworotko
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06574F, Communication

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, Highlight

Step kinetics on monosodium urate monohydrate single crystal surfaces: an in situ AFM study
Clare M. Perrin and Jennifer A. Swift
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE05985A, Paper

New photoluminescence acylhydrazidate-coordinated complexes
Juan Jin, Fu-Quan Bai, Ming-Jun Jia, Yu Peng, Jie-Hui Yu and Ji-Qing Xu
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C1DT11846C, Paper

Zinc and cadmium 2-pyrazinephosphonates: Syntheses, structures and luminescent properties
Yun-Sheng Ma, Xiao-Yan Tang, Wen-Yu Yin, Bin Wu, Feng-Feng Xue, Rong-Xin Yuan and Soumyajit Roy
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C1DT11250C, Paper

Crystal structure of novel compounds in the systems Zr–Cu–Al, Mo–Pd–Al and partial phase equilibria in the Mo–Pd–Al system
Atta U. Khan, P. Rogl and G. Giester
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C1DT11972A, Paper

Plastic crystal phases with high proton conductivity
Usman Ali Rana, R. Vijayaraghavan, Douglas R. MacFarlane and Maria Forsyth
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C2JM15288F, Paper

Change in the magnetostructural properties of rare earth doped cobalt ferrites relative to the magnetic anisotropy
S. R. Naik and A. V. Salker
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C2JM15228B, Paper

Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte
Henan Li, Tom Baikie, Stevin S. Pramana, J. Felix Shin, Peter R. Slater, Frank Brink, James Hester, Kia Wallwork and Tim J. White
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C1JM13752B, Paper

A new congruent-melting oxyborate, Pb4O(BO3)2 with optimally aligned BO3 triangles adopting layered-type arrangement
Hongwei Yu, Shilie Pan, Hongping Wu, Wenwu Zhao, Fangfang Zhang, Hongyi Li and Zhihua Yang
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C1JM14590H, Paper

Piezofluorochromism and morphology of a new aggregation-induced emission compound derived from tetraphenylethylene and carbazole
Xie Zhou, Haiyin Li, Zhenguo Chi, Xiqi Zhang, Jianyong Zhang, Bingjia Xu, Yi Zhang, Siwei Liu and Jiarui Xu
New J. Chem., 2012, Advance Article
DOI: 10.1039/C1NJ20782B, Paper

New-phase VO2 micro/nanostructures: investigation of phase transformation and magnetic property
Liang Liu, Feng Cao, Tao Yao, Yang Xu, Min Zhou, Bingyan Qu, Bicai Pan, Changzheng Wu, Shiqiang Wei and Yi Xie
New J. Chem., 2012, Advance Article
DOI: 10.1039/C1NJ20798A, Paper

Growth and branching of gold nanoparticles through mesoporous silica thin films
Paula C. Angelomé, Isabel Pastoriza-Santos, Jorge Pérez-Juste, Benito Rodríguez-González, Andrés Zelcer, Galo J. A. A. Soler-Illia and Luis M. Liz-Marzán
Nanoscale, 2012, Advance Article
DOI: 10.1039/C2NR11547F, Paper

Synthesis of bimetallic Pt-Pd core-shell nanocrystals and their high electrocatalytic activity modulated by Pd shell thickness
Yujing Li, Zhi Wei Wang, Chin-Yi Chiu, Lingyan Ruan, Wenbing Yang, Yang Yang, Richard E. Palmer and Yu Huang
Nanoscale, 2012, Advance Article
DOI: 10.1039/C1NR11374G, Paper
Polyoxometalate-based crystalline tubular microreactor: redox-active inorganic–organic hybrid materials producing gold nanoparticles and catalytic properties
Dong-Ying Du, Jun-Sheng Qin, Ting-Ting Wang, Shun-Li Li, Zhong-Min Su, Kui-Zhan Shao, Ya-Qian Lan, Xin-Long Wang and En-Bo Wang
Chem. Sci., 2012, Advance Article
DOI: 10.1039/C2SC00586G, Edge Article

Changing and challenging times for service crystallography
Simon J. Coles and Philip A. Gale
Chem. Sci., 2012, Advance Article
DOI: 10.1039/C2SC00955B, Minireview

RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride
Sun Woo Kim, Sang-Hwan Kim, P. Shiv Halasyamani, Mark A. Green, Kanwal Preet Bhatti, C. Leighton, Hena Das and Craig J. Fennie
Chem. Sci., 2012, Advance Article
DOI: 10.1039/C2SC00765G, Edge Article

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CrystEngComm Blog

Archive for 2012

Top ten most accessed articles in November

Hot Article: Polar Crystals

Building with Bucky-Blocks

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

American Crystallographic Association Annual Meeting 2012

100th Anniversary of crystal X-ray diffraction

Call for Papers: Post-synthetic Modification of Coordination Networks

Polymorphs and proline: implications for polymorphic screening in Pharma

HOT Highlight: Zr(IV)-based metal–organic frameworks

This week’s CrystEngSelects

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