Influential Intermolecular Interactions

The crystal structures and packing of organic compounds in the solid state are determined by the types of bonds between the molecules, the structure will depend upon the number, strength and orientation of inter-molecular interactions and bonds. Piyush Panini and Deepak Chopra of IISER Bhopal looked to investigate this further by synthesising, characterising and crystallising a series of 10 isomeric mono and di-trifluoromethylated benzanilides.

 

 

While the traditional C–H  –  –  –  O/N type hydrogen bonds are well studied it is more difficult to evaluate some of the weaker interactions, such as those involving halogens. In this Hot Article the authors look to link the cooperative effects of some of the weaker interactions to crystal structures and packing motifs, making some interesting discoveries.

All hot articles are free to access in CrystEngComm for 4 weeks, so you can download this article for free until next month by clicking the link below.

Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides
Piyush Panini and Deepak Chopra
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06254B

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HOT Article: The enantiopurity enforcer!

In this HOT Article, the achiral mesoxalato ligand (H2mesox2-) is identified as a new enantiopurity enforcer in extended structures by yielding the homochiral metal-organic frameworks (MOFs) 2D-[Ln2(µ-H2mesox)3(H2O)6]. The chirality of the compounds can be observed in the features of the crystal structure and also in the dominating intensity of the hypersensitive transition within trivalent europium, which reacts strongly to the absence of a local inversion centre and proves the chiral environment of the rare-earth ions within the complexes.

Read more for FREE about MOFs at:

Homochiral lanthanoid(III) mesoxalate metal–organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties
Beatriz Gil-Hernández, Jana K. Maclaren, Henning A. Höppe, Jorge Pasán, Joaquín Sanchiz and Christoph Janiak
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06496K

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Top ten most accessed articles in December

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

Some thoughts about the single crystal growth of small molecules 
Bernhard Spingler, Stephan Schnidrig, Tonya Todorova and Ferdinand Wild 
CrystEngComm, 2012, 14, 751-757 DOI: 10.1039/C1CE05624G  
   

Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents 
Masahiko Maekawa, Toshi Tominaga, Kunihisa Sugimoto, Takashi Okubo, Takayoshi Kuroda-Sowa, Megumu Munakata and Susumu Kitagawa 
CrystEngComm, 2012, 14, 1345-1353 DOI: 10.1039/C1CE06328F     

Two novel 2D cadmium(ii) MOFs based on flexible bis(imidazolyl) and zwitterionic dicarboxylate ligands 
Xiaoju Li, Xiaofang Guo, XiuLan Weng and Shen Lin 
CrystEngComm, 2012, 14, 1412-1418 DOI: 10.1039/C1CE06216F     

Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties 
Shengqun Su, Wan Chen, Xuezhi Song, Min Zhu, Chao Qin, Shuyan Song, Zhiyong Guo, Song Wang, Zhaoming Hao, Guanghua Li and Hongjie Zhang 
CrystEngComm, 2012, Advance Article DOI: 10.1039/C2CE05948G     

New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge 
Yan Wang, Yu Peng, Li-Na Xiao, Yang-Yang Hu, La-Mei Wang, Zhong-Min Gao, Tie-Gang Wang, Feng-Qing Wu, Xiao-Bing Cui and Ji-Qing Xu 
CrystEngComm, 2012, 14, 1049-1056 DOI: 10.1039/C1CE05633F     

3D-hierarchical SnS2 micro/nano-structures: controlled synthesis, formation mechanism and lithium ion storage performances 
Jiantao Zai, Xuefeng Qian, Kaixue Wang, Chao Yu, Liqi Tao, Yinglin Xiao and Jiesheng Chen 
CrystEngComm, 2012, 14, 1364-1375 DOI: 10.1039/C1CE05950E     

Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate 
Xinyi Lu, Junwei Ye, Wei Li, Weitao Gong, Lijian Yang, Yuan Lin and Guiling Ning 
CrystEngComm, 2012, 14, 1337-1344 DOI: 10.1039/C1CE06268A     

Homochiral assembly of polycatenated bilayers with mixing achiral ligands 
Juan Liu, Yan-Xi Tan, Fei Wang, Yao Kang and Jian Zhang 
CrystEngComm, 2012, 14, 789-791 DOI: 10.1039/C2CE06297F     

Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules 
Fangna Dai, Di Sun, Wenming Sun, Yun-Qi Liu and Daofeng Sun 
CrystEngComm, 2012, 14, 1376-1381 DOI: 10.1039/C1CE06209C     

Assembly of four d10-metal inorganic–organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties 
Yan Bai, Jun-Li Wang, Dong-Bin Dang, Meng-Meng Li and Jing-Yang Niu 
CrystEngComm, 2012, Advance Article DOI: 10.1039/C1CE06030A     

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 Paper: Supramolecular synthon preference rules in cocrystals

A study into the cocrystals of different cis-carboxamides with carboxylic acids has analysed the tetrameric motifs that occur.  Read the paper while it is free to find out the synthon rules that Cruz-Cabeza and colleagues have come up with:

Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids
Alaina M. Moragues-Bartolome, William Jones and Aurora J. Cruz-Cabeza
CrystEngComm, 2012
DOI: 10.1039/C2CE06241K

This is yet another Hot article from the themed issue on crystal engineering in the pharmaceutical industry that will be published later in the year.

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Happy Chinese New Year

The CrystEngComm team wishes you success in the Year of the Dragon, and we hope that you enjoy your New Year holiday.

In celebration we have made these recently promoted CrystEngComm Hot articles free to read for the whole of February:

Investigation on the influence of cerium doping form on the luminescence properties of Lu0.8Sc0.2BO3 scintillation crystals
Yuntao Wu, Guohao Ren, Dongzhou Ding, Fan Yang and Shangke Pan
DOI: 10.1039/C2CE06332H

Large organic single crystal sheets grown from the gas–liquid and gas–liquid–solid interface
Hui Shang, Huan Wang, Na Gao, Fangzhong Shen, Xianjie Li and Yuguang Ma
DOI: 10.1039/C1CE05989K

Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction
Yao-Kang Lv, Zhan-Guo Jiang, Li-Hua Gan, Ming-Xian Liu and Yun-Long Feng
DOI: 10.1039/C1CE05605K

Copper sulfide cages wholly exposed with nanotwinned building blocks
Shaodong Sun, Xiaoping Song, Chuncai Kong, Dongchu Deng and Zhimao Yang
DOI: 10.1039/C1CE06135F

CrystEngComm supports an online virtual web community for crystal engineers, providing links to international research groups, conferences and events, and highlighting the latest research in the field. Be a part of this by accessing the CrystEngComm blog, liking us on facebook, following us on twitter or signing up to our e-alert service.

Images courtesy of Shutterstock

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Nanorods in minutes

PbSe nanorods have been successfully made by solution–liquid–solid (SLS) growth of PbSe nanocrystals. This growth was followed by oriented attachment of adjacent PbSe nanoparticles. The team from South Korea who carried out this synthesis used Bi catalysts dispersed in the precursor solution to make these nanocrystals thereby reducing the time and temperature taken to produce them.

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Enhanced formation of PbSe nanorods via combined solution–liquid–solid growth and oriented attachment
Min-Seok Kim and Yun-Mo Sung
CrystEngComm, 2012, DOI: 10.1039/C2CE06353K

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Hot Article: Doping scintillation crystals

Cerium is an interesting element for luminescence, however only Ce3+ ions give rise to fast luminescence because the charge transfer transition in Ce4+ is spin-forbidden. Ce-doped lutetium scandium orthoborate (Lu0.8Sc0.2BO3:Ce) has potential application in gamma-ray detection and in this Hot Article by Yuntao Wu and Guohao Ren et al. (Shanghai Institute of Ceramics, Chinese Academy of Sciences) the oxidation state of the Ce ions is investigated.

The study on single crystals of Lu0.8Sc0.2BO3:Ce utilizes XANES based on new generation synchrotron radiation. The research team were able to discover the influence cerium doping has on the luminescence mechanism and the type of point defect in Lu0.8Sc0.2BO3:Ce crystals.

This Hot Article is free to access for 4 weeks and you can keep up to date with the latest news in crystal engineering by liking us on facebook, following us on twitter or signing up to our e-alert service!

Investigation on the influence of cerium doping form on the luminescence properties of Lu0.8Sc0.2BO3 scintillation crystals
Yuntao Wu, Guohao Ren, Dongzhou Ding, Fan Yang and Shangke Pan
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06332H, Paper

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CrystEngComm publishes its first Accepted Manuscript!

CrystEngComm publishes its first Accepted Manuscript! Read it here now……

On the origin of the electroactive poly(vinylidene fluoride) β–phase nucleation by ferrite nanoparticles via surface electrostatic interactions
Pedro Martins, Carlos M Costa, Maria Benelmekki, Gabriela Botelho and Senentxu Lanceros-Mendez
CrystEngComm, 2012, Accepted Manuscript
DOI: 10.1039/C2CE06654H

Our Accepted Manuscript service means your research is available, in citable form, even more rapidly.

Accepted Manuscripts are replaced by the edited and formatted Advance Articles as soon as they are available.

More information about Accepted Manuscripts can be found in the Information for Authors or email us in the Editorial Office with questions.

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January Crystal Clear: Evolution of a cube

This months Crystal Clear shows a near perfect rhombic dodecahedron from Janosch Cravillon, Michael Wiebcke and colleagues at the Leibniz Universitat Hannover in their article published in Issue 2 of CrystEngComm.

The team have investigated crystal morphology of a zeolitic imidazolate framework (ZIF-8) using a solvothermal synthesis in methanol solvent. By modulating the crystallisation process using a simple monodentate ligand they were able to study the crystal morphology with time, discovering via intermediate steps the initially cubic crystals become rhombic dodecahedra as displayed in this striking SEM image.

You can see the team’s images of the crystal evolution and read their findings on modulation and the parameters which affect it in their paper below.

Formate modulated solvothermal synthesis of ZIF-8 investigated using time-resolved in situ X-ray diffraction and scanning electron microscopy
Janosch Cravillon, Christian A. Schröder, Helge Bux, André Rothkirch, Jürgen Caro and Michael Wiebcke
CrystEngComm, 2012, 14, 492-498
DOI: 10.1039/C1CE06002C

If you’re interested in zeolitic imidazolate frameworks there is also this article on the application of ZIF-9 in catalysis. (All articles in Catalysis Science & Technology are free to access for the duration of 2012).

Metal–organic frameworks for catalysis: the Knoevenagel reaction using zeolite imidazolate framework ZIF-9 as an efficient heterogeneous catalyst
Lien T. L. Nguyen, Ky K. A. Le, Hien X. Truong and Nam T. S. Phan
Catal. Sci. Technol., 2012, Advance Article
DOI: 10.1039/C1CY00386K

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HOT Paper: Exploring co-crystals to increase efficacy of HIV drug

Co-crystallisation of nevirapine with maleic acid lead to around a fivefold increase in the aqueous solubility of the drug.

Co-crystallisation of nevirapine with maleic acid lead to around a fivefold increase in the aqueous solubility of the drug.

Mino Caira and colleagues have created co-crystals of nevirapine (an antiretroviral drug) with maleic acid that could improve the aqueous solubility of the drug.  Their success was a result of exploiting several hydrogen-bonding functionalities in nevirapine, in particular (but not exclusively) its rigid amide group.

Read their paper to find out more – its currently free.

Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour
Mino R. Caira, Susan A. Bourne, Halima Samsodien, Emile Engel, Wilna Liebenberg, Nicole Stieger and Marique Aucamp
CrystEngComm, 2012
DOI: 10.1039/C2CE06507J

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