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CrystEngComm Discussion 1 - Innovation in Crystal Engineering


Saturday 29 June

Session 1 - Chair: A G Orpen

 

Keynote Lecture:


Crystal engineering for molecular dynamics
Fumio Toda, CrystEngComm, 2002, 4, 215
DOI: 10.1039/b201842j

 

Discussion papers 1-6:

 

Discrete and infinite coordination arrays derived from a template-directed, solid-state, organic synthesis
Tamara D. Hamilton, Giannis S. Papaefstathiou and Leonard R. MacGillivray, CrystEngComm, 2002, 4, 223
DOI: 10.1039/b202169b

Building cyclotriveratrylene host molecules into network structures
Ruksanna Ahmad and Michaele J. Hardie, CrystEngComm, 2002, 4, 227
DOI: 10.1039/b202197h

Exploiting structure/property relationships in organic non-linear optical materials: developing strategies to realize the potential of TCNQ derivatives
Jacqueline M. Cole and Stefan Kreiling, CrystEngComm, 2002, 4, 232
DOI: 10.1039/b202287g

Designing neutral coordination networks with the aid of hydrogen bond mimicry using silver(I) carboxylates
Lee Brammer, Michael D. Burgard, Mark D. Eddleston, Colin S. Rodger, Nigam P. Rath and Harry Adams, CrystEngComm, 2002, 4, 239
DOI: 10.1039/b203729g

Fluorine segregation in the solid state organisation of the 12 mixed-valence salt of bis(2,2-difluoropropylenedithio)tetrathiafulvalene with the isosteric nickel dithiolene complex
Olivier J. Dautel, Marc Fourmigué and Eric Faulques, CrystEngComm, 2002, 4, 249
DOI: 10.1039/b202663e

Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)
Kacey Claborn, Bart Kahr and Werner Kaminsky, CrystEngComm, 2002, 4, 252
DOI: 10.1039/b202304k

 

Sunday 30th June

Session 2 - Chair: D Braga

 

Keynote Lecture:

Crystal engineering – nucleation, the key step
R. J. Davey, K. Allen, N. Blagden, W. I. Cross, H. F. Lieberman, M. J. Quayle, S. Righini, L. Seton and G. J. T. Tiddy, CrystEngComm, 2002, 4, 257
DOI: 10.1039/b203521a

 

Discussion papers 7-12:

 

A co-crystal containing Kemp's tri-acid and acetic acid: a 0D aggregate disrupts a thermodynamically preferred 1D rod motif
Scott L. Childs and Karl S. Hagen, CrystEngComm, 2002, 4, 265
DOI: 10.1039/b202348b

Why do polymorphs form? A single crystal phase transformation from weak dipolar interactions to a sixfold phenyl embrace
G. Sean McGrady, Marianne Odlyha, Paul D. Prince and Jonathan W. Steed, CrystEngComm, 2002, 4, 271
DOI: 10.1039/b202202h

Two concomitant polymorphs and two isomorphous forms with different chemical compositions, which transform into the same substance upon thermal treatment
Dario Braga, Gianna Cojazzi, Dario Emiliani, Lucia Maini, Marco Polito, Roberto Gobetto and Fabrizia Grepioni, CrystEngComm, 2002, 4, 277
DOI: 10.1039/b201547a

Pillared clay mimics from dicarboxylic acids and flexible diamines
Alicia M. Beatty, Christopher M. Schneider, Amanda E. Simpson and Jennifer L. Zaher, CrystEngComm, 2002, 4, 282
DOI: 10.1039/b202193p

Oriented crystallization of calcite single crystals grown underneath monolayers of tetracarboxyresorc[4]arenes
Dirk Volkmer, Marc Fricke, Ceno Agena and Jochen Mattay, CrystEngComm, 2002, 4, 288
DOI: 10.1039/b202208g

Supramolecular porphyrin-based materials. Assembly modes of [5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrinato]zinc with bipyridyl ligands
Yael Diskin-Posner, Goutam Kumar Patra and Israel Goldberg, CrystEngComm, 2002, 4, 296
DOI: 10.1039/b204129b

 

Sunday 30 June

Session 3 - Chair: G R Desiraju

 

Keynote lecture:

Crystal engineering, solid state spectroscopy and time-resolved diffraction
Philip Coppens, Baoqing Ma, Oxana Gerlits, Yuegang Zhang and Pankaj Kulshrestha, CrystEngComm, 2002, 4, 302
DOI: 10.1039/b203602a

 

Discussion papers 13-18:

 

Supramolecular assembly of low-dimensional silver(I) architectures: testing the reliability of the self-complementary oximeoxime hydrogen-bond interaction
Christer B. Aakeröy, Alicia M. Beatty and Destin S. Leinen, CrystEngComm, 2002, 4, 310
DOI: 10.1039/b202303m

Differences in the formation of pair-wise couplings in supramolecular synthons of the type O–HN/C–HO and N–HN/C–HO
V. R. Pedireddi, CrystEngComm, 2002, 4, 315
DOI: 10.1039/b203473p

Ionic or covalent? Can some first hints be derived from the solid state structures of alkaline earth metal halide adducts?
Katharina M. Fromm, CrystEngComm, 2002, 4, 318
DOI: 10.1039/b201975m

An engineered N–H interaction: crystal structure of 4-tritylbenzamide–p-xylene (21)
C. Malla Reddy, Ashwini Nangia, Chi-Keung Lam and Thomas C. W. Mak, CrystEngComm, 2002, 4, 323
DOI: 10.1039/b202297d

Amino nitrogen and carbonyl oxygen in competitive situations: which is the best hydrogen-bond acceptor site?
Nahossé Ziao, Christian Laurence and Jean-Yves Le Questel, CrystEngComm, 2002, 4, 326
DOI: 10.1039/b202248f

Use of the Ni(dithiooxalate)22– unit as a molecular tecton in crystal engineering
Thomas J. Podesta and A. Guy Orpen, CrystEngComm, 2002, 4, 336
DOI: 10.1039/b203138h

 

Monday 1 July

Session 4 - Chair: S L Price

 

Keynote lecture:

Ten years of experience in polymorph prediction: what next?
Angelo Gavezzotti, CrystEngComm, 2002, 4, 343
DOI: 10.1039/b202063g

 

Discussion papers 19-24:

 

A study of the known and hypothetical crystal structures of pyridine: why are there four molecules in the asymmetric unit cell?
A. T. Anghel, G. M. Day and S. L. Price, CrystEngComm, 2002, 4, 348
DOI: 10.1039/b202084j

Recent advances in opportunities for solving molecular crystal structures directly from powder diffraction data: new insights in crystal engineering contexts
Kenneth D. M. Harris, Roy L. Johnston, Eugene Y. Cheung, Giles W. Turner, Scott Habershon, David Albesa-Jové, Emilio Tedesco and Benson M. Kariuki, CrystEngComm, 2002, 4, 356
DOI: 10.1039/b202832h

The HH interaction in the solid state structure of HMn(CO)5
Maria José Calhorda and Paulo J. Costa, CrystEngComm, 2002, 4, 368
DOI: 10.1039/b202430f

On the existence of long C–C bonds between pairs of anions which repel: when and why? A test case on the [TCNE]22– dimers found in ionic crystals
Juan J. Novoa, Pilar Lafuente, Rico E. Del Sesto and Joel S. Miller, CrystEngComm, 2002, 4, 373
DOI: 10.1039/b202400b

Fingerprinting intermolecular interactions in molecular crystals
Mark A. Spackman and Joshua J. McKinnon, CrystEngComm, 2002, 4, 378
DOI: 10.1039/b203191b

Crystal structure elucidation and morphology study of pharmaceuticals in development
Emilio Tedesco, Danielle Giron and Sabine Pfeffer, CrystEngComm, 2002, 4, 393
DOI: 10.1039/b202427f

 

Monday 1 July

Session 5 - Chair: J S Miller

 

Keynote lecture:

Advances in the chemistry of metal–organic frameworks
Nathaniel L. Rosi, Mohamed Eddaoudi, Jaheon Kim, Michael O'Keeffe and Omar M. Yaghi, CrystEngComm, 2002, 4, 401
DOI: 10.1039/b203193k

 

Discussion papers 25-30:

 

Metal–metal and ligand–ligand interactions in gold poly-yne systems
Peiyi Li, Birte Ahrens, Ka-Ho Choi, Muhammad S. Khan, Paul R. Raithby, Paul J. Wilson and Wai-Yeung Wong, CrystEngComm, 2002, 4, 405
DOI: 10.1039/b202283d

Coordination networks from the self-assembly of silver salts and the linear chain dinitriles NC(CH2)nCN (n = 2 to 7): a systematic investigation of the role of counterions and of the increasing length of the spacers
Lucia Carlucci, Gianfranco Ciani, Davide M. Proserpio and Silvia Rizzato, CrystEngComm, 2002, 4, 413
DOI: 10.1039/b202093a

Anion exchange in co-ordination polymers: a solid-state or a solvent-mediated process?
Andrei N. Khlobystov, Neil R. Champness, Clive J. Roberts, Saul J.B. Tendler, Claire Thompson and Martin Schröder, CrystEngComm, 2002, 4, 426
DOI: 10.1039/b202217f

Alignment of radicals into chains by a Markov mechanism for polarity formation
Heike I. Süss, Thomas Wuest, Andreas Sieber, Rolf Althaus, Felix Budde, Hans-Peter Lüthi, Gordon D. McManus, Jeremy Rawson and Jürg Hulliger, CrystEngComm, 2002, 4, 432
DOI: 10.1039/b202194n

The flexibility of molecular components as a suitable tool in designing extended magnetic systems
Yolanda Rodríguez-Martín, María Hernández-Molina, Fernando S. Delgado, Jorge Pasán, Catalina Ruiz-Pérez, Joaquín Sanchiz, Francesc Lloret and Miguel Julve, CrystEngComm, 2002, 4, 440
DOI: 10.1039/b203506p

Molecular tectonics and supramolecular chirality: rational design of hybrid 1-D and 2-D H-bonded molecular networks based on bis-amidinium dication and metal cyanide anions
Sylvie Ferlay, Véronique Bulach, Olivier Félix, Mir Wais Hosseini, Jean-Marc Planeix and Nathalie Kyritsakas, CrystEngComm, 2002, 4, 447
DOI: 10.1039/b203336b

 

'Wrap-up' Highlight:

 

Innovation in crystal engineering                    
Dario Braga, Gautam R. Desiraju, Joel S. Miller, A. Guy Orpen and Sarah (Sally) L. Price, CrystEngComm, 2002, 4, 500
DOI: 10.1039/b207466b