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Contents list for CrystEngComm, issue 7, 2008
Front cover
CrystEngComm, 2008, 10, 795
DOI: 10.1039/b809821m

See LaDuca et al., pp. 846–855. The structures of mixed ligand dimethylsuccinate/dipyridylamine coordination polymers show a marked dependence on metal coordination geometry. Image reproduced by permission of Mr Chad Hutchinson from CrystEngComm, 2008, 10, 846.
Inside front cover
CrystEngComm, 2008, 10, 796
DOI: 10.1039/b809822k
Contents and Chemical Technology
CrystEngComm, 2008, 10, 797
DOI: 10.1039/b809823a
Communications
The first crystal structure of an actinide complex of the macrocyclic ligand DOTA: a two-dimensional uranyl–organic framework
Pierre Thuéry,
CrystEngComm, 2008, 10, 808
DOI: 10.1039/b800392k

The complex formed by uranyl ions with DOTA and oxalato ligands is a two-dimensional, heavily corrugated framework which demonstrates the interest of DOTA as a square assembler.
Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue
A. J. Florence, C. T. Bedford, F. P. A. Fabbiani, K. Shankland, T. Gelbrich, M. B. Hursthouse, N. Shankland, A. Johnston and P. Fernandes,
CrystEngComm, 2008, 10, 811
DOI: 10.1039/b719717a

2D similarity between form I (left) and form II (right) of cytenamide, a carbamazepine analogue.
Rare example of a polynuclear heterometallic yttrium(III)–copper(I) iodide cluster with a [Y6(
6-O)(
3-OH)8]8+ core structure showing single crystal-to-single crystal transformation
Shashank Mishra, Erwann Jeanneau, Stéphane Daniele and Liliane G. Hubert-Pfalzgraf,
CrystEngComm, 2008, 10, 814
DOI: 10.1039/b802434k

A colorless polynuclear heterometallic yttrium(III)–copper(I) iodide cluster [Y6(
6-O)(
3-OH)8(DMSO)16(H2O)2]8+ [Cu2I4]2- 6[I]- (1) undergoes unique crystal-to-crystal transformation to give reddish-yellow [Y6(
6-O)(
3-OH)8(DMSO)14(H2O)4]8+ 2[CuI3]2- 3[I]- [I3]- (2).
Designed self-assembly of a reactive metal–organic framework with quasi
-Po topology
Adonis Michaelides, Stavroula Skoulika and Michael G. Siskos,
CrystEngComm, 2008, 10, 817
DOI: 10.1039/b716847k

Rectangular-grid networks of cadmium fumarate are linked, in a predictable way, by trans-1,2-bis(4-pyridyl) ethylene to form a novel 3D nanoporous photoreactive metal–organic framework.
Breaking down the para-sulfonato-calix[4]arene bilayer motif into tapes and fences: the solid-state structure of the complex with 6-methoxyquinoline
Oleksandr Shkurenko, Kinga Suwinska and Anthony W. Coleman,
CrystEngComm, 2008, 10, 821
DOI: 10.1039/b801435c

The solid-state structure of the complex para-sulfonato-calix[4]arene·4(6-methoxyquinoline)·12H2O shows a breakdown of a classic bilayer structure of para-sulfonato-calix[4]arene into tapes. There is formation of molecular fences of 6-methoxyquinoline partially included into the cavities of the para-sulfonato-calix[4]arene molecules.
A mixed-linker porphyrin framework with CdI2-type topology
Eun-Young Choi, Paul M. Barron, Richard W. Novotney, Chunhua Hu, Young-UK Kwon and Wonyoung Choe,
CrystEngComm, 2008, 10, 824
DOI: 10.1039/b720035h

A novel metal–organic framework, [(Co(cis-ZnDCPP)(bpy)]·4DMF·H2O (cis-ZnDCPP = zinc 5,10-di(4-carboxyphenyl)-15,20-diphenylporphyrin; bpy = 4,4
-bipyridine; DMF = dimethyl formamide), has been synthesized from the solvothermal reaction and exhibits CdI2 topology.
Papers
Crucial role of Ru
H interactions in the crystal packing of ruthenocene and its derivatives
Alexandra O. Borissova, Mikhail Yu. Antipin, Dmirtrii S. Perekalin and Konstantin A. Lyssenko,
CrystEngComm, 2008, 10, 827
DOI: 10.1039/b716776h

The role and nature of Ru
H interactions in the crystal structure of ruthenocene (
5-C5H5)2Ru and its derivatives were investigated within the analysis of CSD data and experimental (XRD) charge density distribution.
[Co(phen3)]2[Cu11I15]: a mixed-metal iodocuprate containing the novel [Cu10I15]5- and [Cu12I15]3- clusters
Meredith A. Tershansy, Andrea M. Goforth, Joseph M. Ellsworth, Mark D. Smith and Hans-Conrad zur Loye,
CrystEngComm, 2008, 10, 833
DOI: 10.1039/b716031c

A new mixed-metal compound, [Co(phen3)]2[Cu11I15], containing the two novel copper(I) iodide anionic clusters [Cu10I15]5- and [Cu12I15]3-, has been synthesized solvothermally and structurally characterized by single crystal X-ray diffraction.
Synthesis and inclusion properties of new nitrated C2- symmetric diquinoline hosts
Jason Ashmore, Roger Bishop, Donald C. Craig and Marcia L. Scudder,
CrystEngComm, 2008, 10, 839
DOI: 10.1039/b717948k

The two C2- symmetric dinitro diquinoline isomers 6 and 7 both form lattice inclusion compounds in accord with our crystal engineering design. Four X-ray structures are reported which are entirely different structurally from each other. The nitro-substituents play a key role in disfavouring simple packing of the pure host substance but thereby encouraging guest inclusion.
Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands
Kyalamboka A. Brown, David P. Martin, Ronald M. Supkowski and Robert L. LaDuca,
CrystEngComm, 2008, 10, 846
DOI: 10.1039/b718790d

Hydrothermal synthesis has generated four 2-D and 3-D divalent metal coordination polymers incorporating 2,2-dimethylsuccinate (dms) anions and 4,4
-dipyridylamine (dpa). [Co(dms)(dpa)] displays a 4-fold interpenetrated SrAl2 topology. [Ni(dms)(dpa)] exhibits antiferromagnetic coupling and a 2-D grid morphology. The acentric luminescent phase [Cd(dms)(dpa)] possesses a 2-fold interpenetrated layer structure.
Screening strategies based on solubility and solution composition generate pharmaceutically acceptable cocrystals of carbamazepine
Scott L. Childs, Naír Rodríguez-Hornedo, L. Sreenivas Reddy, Adivaraha Jayasankar, Chinmay Maheshwari, Linda McCausland, Rex Shipplett and Barbara C. Stahly,
CrystEngComm, 2008, 10, 856
DOI: 10.1039/b715396a

Four different screening techniques were used to identify cocrystals of carbamazepine containing pharmaceutically acceptable carboxylic acids. Strategies for generating supersaturation of the cocrystal and avoiding crystallizing the individual reactants are discussed.
Nanoparticles of amorphous calcium carbonate by miniemulsion: synthesis and mechanism
Ranjith Krishna Pai and Saju Pillai,
CrystEngComm, 2008, 10, 865
DOI: 10.1039/b717057b

The main objective of the present study is to develop a system to synthesize stable amorphous calcium carbonate (ACC) particles with controlled particle size in the range of nanometers by the use of a miniemulsion technique and to understand the
facilitated transport mechanism
.
Clathrate and channel inclusion systems co-exist in the crystal structure of a bis-C-pivot macrocycle (Z
= 2)
Selen Bilge, Simon J. Coles, David B. Davies, Michael B. Hursthouse, Zeynel K
l
ç, John S. Rutherford and Robert A. Shaw,
CrystEngComm, 2008, 10, 873
DOI: 10.1039/b716882a

In this crystal structure the macrocycle forms columns which have internal cavities occupied by methanol, and which are held apart by hydrogen bonds to produce the channels occupied by THF.
Co-crystallisation of 2,2
-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns
Grant A. Broker, Ryan P. A. Bettens and Edward R. T. Tiekink,
CrystEngComm, 2008, 10, 879
DOI: 10.1039/b800797g

Using the same experimental conditions, the expected zig-zag supramolecular chains mediated by O–H
N hydrogen bonding are formed between 2,2
-dithiodibenzoic acid and each of 3- and 4-pyridinealdazine but the 2-isomer only forms a pentamer via O–H
N hydrogen bonding, yet these aggregate into chains via C–H
contacts.
Hydrothermal synthesis and characterization of metal–organic networks with helical units in a mixed ligand system
Yawei Hu, Guanghua Li, Xiaomin Liu, Bin Hu, Minghui Bi, Lu Gao, Zhan Shi and Shouhua Feng,
CrystEngComm, 2008, 10, 888
DOI: 10.1039/b800255j

Two helical metal–organic networks were hydrothermally synthesized and characterized by single crystal X-ray diffraction. Compound 1 has a 2-D layer network composed of alternately right-handed and left-handed helical chains. Compound 2 has a 2-D interpenetrated double-layer network and each monolayer is composed of homochiral helical chains constructed by mixed ligands.
Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
Ying-Ying Liu, Jian-Fang Ma, Jin Yang, Ji-Cheng Ma and Zhong-Min Su,
CrystEngComm, 2008, 10, 894
DOI: 10.1039/b716476a

Nine coordination polymers of divalent metal ions with 1,2,3,4-butanetetracarboxylate anion (BTCA) have been synthesized and characterized. This is the first systematic investigation on the assembly reactions of the versatile BTCA anion.
Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes
Fen-Yan Lian, Fei-Long Jiang, Da-Qiang Yuan, Jiu-Tong Chen, Ming-Yan Wu and Mao-Chun Hong,
CrystEngComm, 2008, 10, 905
DOI: 10.1039/b718659b

This paper reports the syntheses and structural determination of five CdII-sdba coordination polymers obtained by the hydrothermal reaction of cadmium nitrate, the V-shaped 4,4
-dicarboxybiphenyl sulfone and the neutral N-donor ligand. The thermal behaviour and the intense blue or violet luminescences from ligand-to-metal charge transfer (LMCT) were observed for compounds 1–4.
Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4
-pyrimidyl)ethene
Na Liu, Yan-Qin Wang, En-Qing Gao, Zhen-Xia Chen and Lin-Hong Weng,
CrystEngComm, 2008, 10, 915
DOI: 10.1039/b802044b

The assemblies of 1-(3-pyridyl)-2-(4
-pyrimidyl)ethene with different transition metal ions generate different hydrogen-bonded networks with interesting 2-D and 3-D net topologies.
