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A year of celebration!
17 December 2008
Chair of the Editorial Board Neil Champness and Editor Jamie Humphrey look back on 2008 which was a record year for CrystEngComm.
Hirshfeld surface analysis
17 December 2008
Mark Spackman and Dylan Jayatilaka review some of the basic tools used in Hirshfeld surface analysis.
Call for Papers: Crystal Engineering in Molecular Magnetism
20 November 2008
Submit an article to this CrystEngComm themed issue. Submission deadline: 31 March 2009
Contents list for CrystEngComm, issue 1, 2009
Front cover
CrystEngComm, 2009, 11, 1
DOI: 10.1039/b821538n
See Lee et al., pp. 43–46. Assembly reactions of isomeric NS2 macrocycles with some heavy metal ions afford flower-, leaf- and tree-shaped supramolecular structures. Image reproduced by permission of Professor Shim Sung Lee from CrystEngComm, 2009, 11, 43.
Inside front cover
CrystEngComm, 2009, 11, 2
DOI: 10.1039/b821539c
Contents and Chemical Technology
CrystEngComm, 2009, 11, 3
DOI: 10.1039/b821540p
Editorial
A year of celebration
CrystEngComm, 2009, 11, 17
DOI: 10.1039/b820361j
A record year for CrystEngComm saw a significant increase in the number of articles published.
Highlight
Hirshfeld surface analysis
Mark A. Spackman and Dylan Jayatilaka,
CrystEngComm, 2009, 11, 19
DOI: 10.1039/b818330a
Hirshfeld surface analysis ventures beyond the current paradigm to view molecules as 
organic wholes
, thereby fundamentally altering the discussion of intermolecular interactions through an unbiased identification of all close contacts, coupled with novel visualization tools.
Communications
Increased control over the desolvation of p-tert-butylcalix[5]arene
Jian Tian, Scott J. Dalgarno, Praveen K. Thallapally and Jerry L. Atwood,
CrystEngComm, 2009, 11, 33
DOI: 10.1039/b813628a
Parital de-solvation of the toluene solvate of p-tert-butylcalix[5]arene affords a frustrated organic solid that is a new type of sorbant. Increased control over this sorption is achieved by employing a high boiling solvent for incremental de-solvation, revealing the calixarene
:solvent ratio for maximum gas sorption.
Controlling nucleation of the cyclic heteropolyanion {P8W48}: a cobalt-substituted phosphotungstate chain and network
Scott G. Mitchell, David Gabb, Chris Ritchie, Nick Hazel, De-Liang Long and Leroy Cronin,
CrystEngComm, 2009, 11, 36
DOI: 10.1039/b813066c
Two cyclic cobalt-substituted heteropolyoxometalates have been synthesised from the reaction of Co(II) ions and the superlacunary {P8W48} polyanion in mildly acidic aqueous media.
[Yb(C2O4)4]5-– a versatile metal–organic building block for layered coordination polymers
Ulrich Baisch and Dario Braga,
CrystEngComm, 2009, 11, 40
DOI: 10.1039/b816022h
A crystal engineering approach between the monomeric building-block [Yb(C2O4)4]5- and melamine creates a new structural motif in lanthanide chemistry, the novel crystalline rare earth coordination polymer [C3H7N6]6[Yb(C2O4)4][NO3].
Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures
Sunhong Park, So Young Lee, Minhye Jo, Jai Young Lee and Shim Sung Lee,
CrystEngComm, 2009, 11, 43
DOI: 10.1039/b814051k
Isomeric NS2 macrocycles (ortho: L1, meta: L2 and para: L3) were synthesised and their complexes were isolated; L1 and L2 afforded a flower-type cyclic hexamer and a tree-shaped 3:4 (M/L) complex, respectively, in the reactions of AgPF6, meanwhile L2 and L3 afforded a respective leaf-like 1D chain and a brick-wall type 2D network in the reactions of HgBr2.
Self-assembly of a novel metal–organic coordination cage (MOCC) based on a new flexible dicarboxylate ligand: synthesis, crystal structure and magnetic property
Fangna Dai, Haiyan He, Aiping Xie, Guodong Chu, Daofeng Sun and Yanxiong Ke,
CrystEngComm, 2009, 11, 47
DOI: 10.1039/b816015p
A new metal–organic coordination cage, constructed from a flexible dicarboxylate organic ligand and a binuclear manganese SBU, has been designed and synthesized.
Novel rare case of 2D + 1D = 2D polycatenation Hg(II) coordination polymer
Ghodrat Mahmoudi and Ali Morsali,
CrystEngComm, 2009, 11, 50
DOI: 10.1039/b813701n
A novel polymeric mercury(II) thiocyanate coordination polymer, [Hg2(µ-bpdh)(µ-SCN)4]n[Hg2(µ-bpdh)(µ-SCN)4]2n (1) (bpdh = 2,5-bis(3-pyridyl)-3,4-diaza-2,4-hexadiene) was prepared and fully characterized.
New polymorphic hydrogen bonding donor–acceptor system with two temperature coincident solid–solid transitions
Anna Portell, Rafael Barbas, Dario Braga, Marco Polito, Cristina Puigjaner and Rafel Prohens,
CrystEngComm, 2009, 11, 52
DOI: 10.1039/b813086h
The polymorphism of dibenzylsquaramide is reported. The study indicates the existence of three different forms, two of them sharing a solid–solid transition at the same temperature towards the highest melting polymorph. The single X-ray structures of forms A and C have been determined showing a well defined head-to-tail intermolecular hydrogen bonding motif.
The illustrative use of thiosulfate in the formation of new three-dimensional hybrid structures
Avijit Kumar Paul, Giridhar Madras and Srinivasan Natarajan,
CrystEngComm, 2009, 11, 55
DOI: 10.1039/b817150p
Three cadmium thiosulfate based inorganic–organic hybrid compounds with 3D extended structures have been prepared employing mild reaction conditions (typically <100 °C). The compounds are interconvertible under suitable conditions and exhibit photocatalytic activity in the presence of sunlight.
Papers
A MOF-type magnesium benzene-1,3,5-tribenzoate with two-fold interpenetrated ReO3 nets
Christophe Volkringer, Thierry Loiseau, Jérôme Marrot and Gérard Férey,
CrystEngComm, 2009, 11, 58
DOI: 10.1039/b814943g
The magnesium benzene-1,3,5-tribenzoate (MIL-123) displays with a 3D structure based on the stacking of two independently super-octahedral cavities defining two-fold interpenetrated ReO3 nets.
Two [Au(CN)2]--bridged heterometallic coordination polymers directed by different 2,2
-bipyridyl-like ligands
Yang Guo, Zhan-Quan Liu, Bin Zhao, Yu-Hua Feng, Gong-Feng Xu, Shi-Ping Yan, Peng Cheng, Qing-Lun Wang and Dai-Zheng Liao,
CrystEngComm, 2009, 11, 61
DOI: 10.1039/b809381d
Two new cyanide-bridged heterobimetallic coordination polymers constructed by using the [Au(CN)2]- building block with auxiliary 2,2-bipyridyl-like ligands have been synthesized and characterized.
In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers
Wenbin Yang, Xiang Lin, Alexander J. Blake, Claire Wilson, Peter Hubberstey, Neil R. Champness and Martin Schröder,
CrystEngComm, 2009, 11, 67
DOI: 10.1039/b808496c
Metallosupramolecular co-ordination polymers incorporating tetrazolyl ligands have been synthesized via in situ [2 + 3] cycloaddition reactions of 4-cyanopyridine or 4-cyanopyridine N-oxide with sodium azide in the presence of Zn(II), Cd(II) or Ni(II) salts under hydrothermal reaction conditions.
Inclusion of a well resolved T4(2)6(2) water tape in a H-bonded, (4,7)-binodal 3D network
George E. Kostakis, Ghulam Abbas, Christopher E. Anson and Annie K. Powell,
CrystEngComm, 2009, 11, 82
DOI: 10.1039/b811376a
The reaction of the Ln(NO3)3·6(H2O) with m-BDTH2 leads to a 3D hydrogen bonded framework formulated as {[Ln(H2O)8(m-BDTH)](m-BDT)·12(H2O)} (Ln = Ce, Nd) forming a (4,7)-binodal 3D network with a self-assembled T4(2)6(2) water tape.
Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors
David R. Turner, Sze Nee Pek and Stuart R. Batten,
CrystEngComm, 2009, 11, 87
DOI: 10.1039/b814158d
The limits of a robust dual-synthon hydrogen-bonding motif are tested with its disruption by the presence of strong hydrogen-bond donors and by favourable 
-stacking interactions between aromatic co-ligands.
Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules: selective interactions and crystal structures
Marina S. Fonari, Yurii A. Simonov, Wen-Jwu Wang, Shang-Wei Tang and Eduard V. Ganin,
CrystEngComm, 2009, 11, 94
DOI: 10.1039/b810076d
Selective inclusion of macrocyclic crown molecule or linear 2-methoxyethanol molecule in the crystal lattice of triphenylmethane derivatives is discussed and confirmed by X-ray structures
Open and closed copper chain coordination polymers with alternating ferromagnetic and antiferromagnetic interactions
Ming-Li Liu, Wei Shi, Hai-Bin Song, Peng Cheng, Dai-Zheng Liao and Shi-Ping Yan,
CrystEngComm, 2009, 11, 102
DOI: 10.1039/b816161p
By using different methods, closed and open chain coordination polymers 1 and 2 were assembled in different molecular architectures, which exhibited alternating ferromagnetic and antiferromagnetic interactions.
Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = –CH3 or –C(CH3)3) and various dipyridyl-type co-ligands
Lu-Fang Ma, Li-Ya Wang, Yao-Yu Wang, Miao Du and Jian-Ge Wang,
CrystEngComm, 2009, 11, 109
DOI: 10.1039/b811725j
By utilizing H2tbip or H2mip with different dipyridyl-type ligands, we have produced a variety of new coordination frameworks, including examples of 1D, 2D and 3D covalent connectivity. The different structures demonstrate the influence of a second ligand on the assembly of MOFs.
Structural similarity of hydrogen-bonded and metal-coordinated abiotic base pairs allows oligonucleotide-like mutual stacking,
Marc-Oliver M. Piepenbrock, Kirsty M. Anderson, Benedict C. R. Sansam, Nigel Clarke and Jonathan W. Steed,
CrystEngComm, 2009, 11, 118
DOI: 10.1039/b815252g
A hydrogen bonded artificial base-pair can replace a metal-bridged ligand pair in an almost isosteric fashion to give a hybrid -stacked cage complex containing one base-bair and one metal-bridged linkage suggesting the components have potential as artificial nucleobases.
Four 2D metal–organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties
Shuangquan Zang, Yang Su, Yi-Zhi Li, Jianguo Lin, Xianying Duan, Qingjin Meng and Song Gao,
CrystEngComm, 2009, 11, 122
DOI: 10.1039/b806899b
Four novel 2D metal–organic frameworks with Cd-cluster SUBs have been constructed from 1,1-biphenyl-2,2,3,3-tetracarboxyl acid and the 
second
ligands. All compounds show strong luminescence and may be suitable as excellent candidates for optic-active materials.
Effects of chitosan on the alignment, morphology and shape of calcite crystals nucleating under Langmuir monolayers
Kyungil Kim, Ahmet Uysal, Sumit Kewalramani, Benjamin Stripe and Pulak Dutta,
CrystEngComm, 2009, 11, 130
DOI: 10.1039/b811684a
When calcium carbonate is nucleated from supersaturated solutions under floating (Langmuir) monolayers, the presence of dissolved chitosan causes distinct concentration-dependent changes in the orientation, shape and morphology of the calcite crystals. Our results suggest that polyelectrolytes may play essential roles in controlling the growth of biogenic calcite crystals.
Supramolecular structures of six adenine-carboxylic acid complexes
Maureen Byres, Philip J. Cox, Graeme Kay and Elaine Nixon,
CrystEngComm, 2009, 11, 135
DOI: 10.1039/b811243f
Supramolecular structures of anhydrous and solvated multicomponent crystals of adenine with benzoic acid, adipic acid, salicylic acid, 2,6-dihydroxybenzoic acid and 3,5-dihydroxybenzoic acid are presented.
Click synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br
NO2 synthon
C. V. Ramana, Soumitra Chatterjee, Kulbhushan A. Durugkar and Rajesh G. Gonnade,
CrystEngComm, 2009, 11, 143
DOI: 10.1039/b809985e
Employing the azide-alkyne click reaction, isomeric compounds with a modular positioning of Br and NO2 groups on a triaryl template were synthesized. Structural analysis was applied to investigate the influence of the substituent position on the supramolecular assembly and the occurrence of a bifurcated three-center BrNO2 supramolecular synthon.
Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions
Jin Yang, Jian-Fang Ma, Ying-Ying Liu and Stuart R. Batten,
CrystEngComm, 2009, 11, 151
DOI: 10.1039/b816356c
A series of four- and six-connected entangled structures based on flexible bis(imidazole) ligands and long dicarboxylate anions have been successfully isolated under hydrothermal conditions, and their luminescent properties were also studied in detail.
5,5-Dicyano-2,2-bithiophene and 3,3-dicyanobiphenyl: off-axis rod-like ligands for silver(I)
Craig D. MacKinnon, Shawna L. M. Parent, Robert C. Mawhinney, Abdeljalil Assoud and Craig M. Robertson,
CrystEngComm, 2009, 11, 160
DOI: 10.1039/b810479d
The titular oligomeric ligands have the same shape but different steric and donor capabilities to the silver(I) cation. The bithiophene ligand requires four bonds to the cation and forms a 3D structure. The stronger and more sterically demanding biphenyl ligand gives a 1D coordination polymer with two bonds per cation.
Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands
Yi-Fen Hsu, Hui-Ling Hu, Chia-Jun Wu, Chun-Wei Yeh, Davide M. Proserpio and Jhy-Der Chen,
CrystEngComm, 2009, 11, 168
DOI: 10.1039/b812447g
The syntheses, structures and properties of three coordination networks, 1, 2 and 3, involving flexible bipyridyl ligands are described. Complex 1 forms 1D zigzag chains, while complex 2 forms 2D pleated sheets. Complex 3 shows a rare 3D entanglement from parallel polycatenation of 3-fold interpenetrated square layers.
Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties
Chaoying Gao, Shuxia Liu, Linhua Xie, Chunyan Sun, Jianfang Cao, Yuanhang Ren, Dan Feng and Zhongming Su,
CrystEngComm, 2009, 11, 177
DOI: 10.1039/b812097h
The crystal structures, synthesis investigation, along with N2 sorption properties of compounds Ni(HBTC)(pyz)·3DMF, Ni2(BTEC)(bipy)3·3DMF and H2 uptake measurement for compound Ni(HBTC)(bipy)·3DMF are presented and discussed (BTC = 1,3,5-benzentricarboxylate, DMF = N,N-dimethylformamide).
Syntheses, structures and sorption properties of two framework-isomeric porous copper-coordination polymers
Dong-Xu Xue, Jian-Bin Lin, Jie-Peng Zhang and Xiao-Ming Chen,
CrystEngComm, 2009, 11, 183
DOI: 10.1039/b813226g
Two framework-isomeric porous coordination polymers with different topologies were isolated by solvothermal or solution reaction. They exhibit stable 2-D and 3-D networks and either rigid or dynamic behavior depending on the degree of desolvation.
Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks
Mei-Jin Lin, Abdelaziz Jouaiti, Nathalie Kyritsakas and Mir Wais Hosseini,
CrystEngComm, 2009, 11, 189
DOI: 10.1039/b815695f
Control of the pore size and shape of cuboid 3-D coordination networks by combination of neutral pyridyl bearing organic tectons with zinc dication and SiF6 dianion behaving as a metallic node and an inorganic tecton, respectively.
Selectivity of butanol isomers by enclathration
Peter W. Linder, Luigi R. Nassimbeni and Hong Su,
CrystEngComm, 2009, 11, 192
DOI: 10.1039/b812887a
Enclathration by a diol host of the isomers of butanol shows a selectivity of 2-butanol > iso-butanol > 1-butanol.
Theoretical analysis of specific evolution of some faces of plant COM crystals
Jolanta Prywer,
CrystEngComm, 2009, 11, 196
DOI: 10.1039/b802023j
This paper describes a unique behaviour of the (
32) and (01) faces observed in COM crystals extracted from pepper and wild Solanum leaves. These fast-growing faces develop their sizes growing even twice faster than the neighbouring faces, remaining at the same time morphologically stable.
Back cover
CrystEngComm, 2009, 11, 203
DOI: 10.1039/b821542c
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