"The interaction between crystallography and chemistry has been lively. It has been an active and stimulating exchange of ideas ever since the existence of crystals was noticed more than two millennia ago. This exchange has taken a new meaning after the discovery of X-ray diffraction and the determination of crystal structures, 100 years ago. Crystal engineering is the latest chapter of chemical crystallography and it has all the ingredients of a fundamental science with important practical applications in fields as diverse as pharmaceuticals, separation and catalysis."

Professor G. R. Desiraju

main editor for chemistry and crystal engineering

G. R. DesirajuSolid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India (e-mail: gautam.desiraju@gmail.com)

co-editors

M. EddaoudiAdvanced Membranes and Porous Materials Research Center, 4700 King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia (e-mail: mohamed.eddaoudi@kaust.edu.sa)
C. LecomteCristallographie, Résonance Magnetique et Modélisations, CRM2, UMR 7036, Institut Jean Barriol, Université de Lorraine, BP 239, F-54506 Vandoeuvre-les-Nancy, France (e-mail: claude.lecomte@univ-lorraine.fr)
P. LightfootSchool of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, UK (e-mail: pl@st-andrews.ac.uk)
L. R. MacGillivrayDepartment of Chemistry, University of Iowa, Iowa City, Iowa 52242-1294, USA (e-mail: len-macgillivray@uiowa.edu)
C.-Y. SuSchool of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275, China (e-mail: cesscy@mail.sysu.edu.cn)

articles in this subject area

Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules. A. Rehman, A. Delori, D. S. Hughes & W. Jones (2018). IUCrJ 5, 309-324. 
Polymorphism of terthio­phene with surface confinement. R. Resel, A. O. F. Jones, G. Schweicher, R. Fischer, N. Demitri & Y. H. Geerts (2018). IUCrJ 5, 304-308. 
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive N,N′-containing linkers. E. N. Zorina-Tikhonova, A. S. Chistyakov, M. A. Kiskin, A. A. Sidorov, P. V. Dorovatovskii, Y. V. Zubavichus, E. D. Voronova, I. A. Godovikov, A. A. Korlyukov, I. L. Eremenko & A. V. Vologzhanina (2018). IUCrJ 5, 293-303. 
Isomerism in double-pillared-layer coordination polymers – structures and photoreactivity. I.-H. Park, H. Ju, K. Kim, S. S. Lee & J. J. Vittal (2018). IUCrJ 5, 182-189. 
Survey and analysis of crystal polymorphism in organic structures. K. Kersten, R. Kaur & A. Matzger (2018). IUCrJ 5, 124-129. 
Snapshot and crystallographic observations of kinetic and thermodynamic products for NO2S2 macrocyclic complexes. I.-H. Park, Y. Kang, E. Lee, H. Ju, S. Kim, S. Seo, J. H. Jung & S. S. Lee (2018). IUCrJ 5, 45-53. 
Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. M. Fugel, D. Jayatilaka, E. Hupf, J. Overgaard, V. R. Hathwar, P. Macchi, M. J. Turner, J. A. K. Howard, O. V. Dolomanov, H. Puschmann, B. B. Iversen, H.-B. Bürgi & S. Grabowsky (2018). IUCrJ 5, 32-44. 
Building inorganic supramolecular architectures using principles adopted from the organic solid state. M. Đaković, Ž. Soldin, B.-M. Kukovec, I. Kodrin, C. B. Aakeröy, N. Baus & T. Rinkovec (2018). IUCrJ 5, 13-21. 
Hydrogen bonds in crystalline D-alanine: diffraction and spectroscopic evidence for differences between enantiomers. E. A. Belo, J. E. M. Pereira, P. T. C. Freire, D. N. Argyriou, J. Eckert & H. N. Bordallo (2018). IUCrJ 5, 6-12. 
Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions. P. Kumar, M. K. Cabaj, A. Pazio & P. M. Dominiak (2018). IUCrJ 5, https://doi.org/10.1107/S2052252518006346. 
Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions. S. Mittapalli, D. S. Perumalla, J. B. Nanubolu & A. Nangia (2017). IUCrJ 4, 812-823. 
The potential of hexatungstotellurate(VI) to induce a significant entropic gain during protein crystallization. C. Molitor, A. Bijelic & A. Rompel (2017). IUCrJ 4, 734-740. 
Theoretical prediction of strain tuneable quaternary spintronic Heusler compounds. J.-W. G. Bos (2017). IUCrJ 4, 712-713. 
Crystal engineering: structure, property and beyond. G. R. Desiraju (2017). IUCrJ 4, 710-711. 
A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite. A. Pakhomova, E. Bykova, M. Bykov, K. Glazyrin, B. Gasharova, H.-P. Liermann, M. Mezouar, L. Gorelova, S. Krivovichev & L. Dubrovinsky (2017). IUCrJ 4, 671-677. 
CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems. C. F. Mackenzie, P. R. Spackman, D. Jayatilaka & M. A. Spackman (2017). IUCrJ 4, 575-587. 
ζ-Glycine: insight into the mechanism of a polymorphic phase transition. C. L. Bull, G. Flowitt-Hill, S. de Gironcoli, E. Küçükbenli, S. Parsons, C. H. Pham, H. Y. Playford & M. G. Tucker (2017). IUCrJ 4, 569-574. 
Crystal structure across the β to α phase transition in thermoelectric Cu2−xSe. E. Eikeland, A. B. Blichfeld, K. A. Borup, K. Zhao, J. Overgaard, X. Shi, L. Chen & B. B. Iversen (2017). IUCrJ 4, 476-485. 
Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering. L. Rajput, M. Banik, J. R. Yarava, S. Joseph, M. K. Pandey, Y. Nishiyama & G. R. Desiraju (2017). IUCrJ 4, 466-475. 
Healing X-ray scattering images. J. Liu, J. Lhermitte, Y. Tian, Z. Zhang, D. Yu & K. G. Yager (2017). IUCrJ 4, 455-465. 
Validation of experimental charge-density refinement strategies: when do we overfit?. L. Krause, B. Niepötter, C. J. Schürmann, D. Stalke & R. Herbst-Irmer (2017). IUCrJ 4, 420-430. 
Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts. G. Cavallo, J. S. Murray, P. Politzer, T. Pilati, M. Ursini & G. Resnati (2017). IUCrJ 4, 411-419. 
Structure-directing effects of ionic liquids in the ionothermal synthesis of metal–organic frameworks. T. P. Vaid, S. P. Kelley & R. D. Rogers (2017). IUCrJ 4, 380-392. 
Making crystals with a purpose; a journey in crystal engineering at the University of Bologna. D. Braga, F. Grepioni, L. Maini & S. d'Agostino (2017). IUCrJ 4, 369-379. 
Stochastic polarity formation in molecular crystals, composite materials and natural tissues. J. Hulliger, M. Burgener, R. Hesterberg, M. Sommer, K. Brahimi & H. Aboulfadl (2017). IUCrJ 4, 360-368. 
NMR crystallography: structure and properties of materials from solid-state nuclear magnetic resonance observables. D. L. Bryce (2017). IUCrJ 4, 350-359. 
New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents. A. Brink & J. R. Helliwell (2017). IUCrJ 4, 283-290. 
Mechanochemical synthesis of N-salicylidene­aniline: thermosalient effect of polymorphic crystals. S. Mittapalli, D. Sravanakumar Perumalla & A. Nangia (2017). IUCrJ 4, 243-250. 
Unprecedented phase transition sequence in the perovskite Li0.2Na0.8NbO3. C. A. L. Dixon, J. A. McNulty, S. Huband, P. A. Thomas & P. Lightfoot (2017). IUCrJ 4, 215-222. 
Acemetacin cocrystal structures by powder X-ray diffraction. G. Bolla, V. Chernyshev & A. Nangia (2017). IUCrJ 4, 206-214. 
How many tricks can an old perovskite play?. B. J. Kennedy (2017). IUCrJ 4, 204-205. 
Regulating thermosalient behaviour in three polymorphs. M. J. Werny & J. J. Vittal (2017). IUCrJ 4, 202-203. 
Atom interaction propensities of oxygenated chemical functions in crystal packings. C. Jelsch & Y. Bibila Mayaya Bisseyou (2017). IUCrJ 4, 158-174. 
Metal–organic frameworks for H2 and CH4 storage: insights on the pore geometry–sorption energetics relationship. M. H. Alkordi, Y. Belmabkhout, A. Cairns & M. Eddaoudi (2017). IUCrJ 4, 131-135. 
Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes. C. E. Mulijanto, H. S. Quah, G. K. Tan, B. Donnadieu & J. J. Vittal (2017). IUCrJ 4, 65-71. 
A heuristic approach to evaluate peri interactions versus intermolecular interactions in an overcrowded naphthalene. S. Sarkar & T. N. G. Row (2017). IUCrJ 4, 37-49. 
Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds. A. Bajpai, H. S. Scott, T. Pham, K.-J. Chen, B. Space, M. Lusi, M. L. Perry & M. J. Zaworotko (2016). IUCrJ 3, 430-439. 
Constructing covalent organic frameworks in water via dynamic covalent bonding. J. Thote, H. Barike Aiyappa, R. Rahul Kumar, S. Kandambeth, B. P. Biswal, D. Balaji Shinde, N. Chaki Roy & R. Banerjee (2016). IUCrJ 3, 402-407. 
Synthesis of chemically stable covalent organic frameworks in water. S. Y. Chong (2016). IUCrJ 3, 391-392. 
Observation of a re-entrant phase transition in the molecular complex tris([mu]2-3,5-diiso­propyl-1,2,4-triazolato-[kappa]2N1:N2)trigold(I) under high pressure. C. H. Woodall, J. Christensen, J. M. Skelton, L. E. Hatcher, A. Parlett, P. R. Raithby, A. Walsh, S. C. Parker, C. M. Beavers, S. J. Teat, M. Intissar, C. Reber & D. R. Allan (2016). IUCrJ 3, 367-376. 
Cooperative Jahn-Teller effect and the role of strain in the tetragonal-to-cubic phase transition in MgxCu1 - xCr2O4. S. C. Tarantino, M. Giannini, M. A. Carpenter & M. Zema (2016). IUCrJ 3, 354-366. 
An exceptional series of phase transitions in hydrophobic amino acids with linear side chains. C. H. Görbitz, P. Karen, M. Dusek & V. Petrícek (2016). IUCrJ 3, 341-353. 
Isolation and evolution of labile sulfur allotropes via kinetic encapsulation in interactive porous networks. H. Kitagawa, H. Ohtsu, A. J. Cruz-Cabeza & M. Kawano (2016). IUCrJ 3, 232-236. 
Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals. M. Burgener, H. Aboulfadl, G. C. Labat, M. Bonin, M. Sommer, R. Sankolli, M. Wübbenhorst & J. Hulliger (2016). IUCrJ 3, 219-225. 
In situ ultra-small-angle X-ray scattering study under uniaxial stretching of colloidal crystals prepared by silica nanoparticles bearing hydrogen-bonding polymer grafts. R. Ishige, G. A. Williams, Y. Higaki, N. Ohta, M. Sato, A. Takahara & Z. Guan (2016). IUCrJ 3, 211-218. 
Application of X-ray topography to USSR and Russian space materials science. I. L. Shul'pina, I. A. Prokhorov, Y. A. Serebryakov & I. Z. Bezbakh (2016). IUCrJ 3, 200-210. 
A co-crystal between benzene and ethane: a potential evaporite material for Saturn's moon Titan. H. E. Maynard-Casely, R. Hodyss, M. L. Cable, T. H. Vu & M. Rahm (2016). IUCrJ 3, 192-199. 
Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides. G. Bolla & A. Nangia (2016). IUCrJ 3, 152-160. 
The crystalline sponge method updated. M. Hoshino, A. Khutia, H. Xing, Y. Inokuma & M. Fujita (2016). IUCrJ 3, 139-151. 
Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM). R. Dubey, N. A. Mir & G. R. Desiraju (2016). IUCrJ 3, 102-107. 
Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence. N. A. Mir, R. Dubey & G. R. Desiraju (2016). IUCrJ 3, 96-101. 
Crystal engineering and IUCrJ. G. R. Desiraju (2016). IUCrJ 3, 1-2. 
Supramolecular interactions in the solid state. G. Resnati, E. Boldyreva, P. Bombicz & M. Kawano (2015). IUCrJ 2, 675-690. 
Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion. M. K. Mishra, A. Mukherjee, U. Ramamurty & G. R. Desiraju (2015). IUCrJ 2, 653-660. 
Structure-mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives. G. R. Krishna, R. Devarapalli, R. Prusty, T. Liu, C. L. Fraser, U. Ramamurty & C. M. Reddy (2015). IUCrJ 2, 611-619. 
Will measuring mechanical properties help us understand solid-state reactions?. I. D. Williams (2015). IUCrJ 2, 607-608. 
Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. D. Lumpi, P. Kautny, B. Stöger & J. Fröhlich (2015). IUCrJ 2, 584-600. 
Quantitative analysis of intermolecular interactions in orthorhombic rubrene. V. R. Hathwar, M. Sist, M. R. V. Jørgensen, A. H. Mamakhel, X. Wang, C. M. Hoffmann, K. Sugimoto, J. Overgaard & B. B. Iversen (2015). IUCrJ 2, 563-574. 
A fluorescent paramagnetic Mn metal-organic framework based on semi-rigid pyrene tetra­carboxylic acid: sensing of solvent polarity and explosive nitroaromatics. A. Bajpai, A. Mukhopadhyay, M. S. Krishna, S. Govardhan & J. N. Moorthy (2015). IUCrJ 2, 552-562. 
Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: [beta]-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. M. Garai & K. Biradha (2015). IUCrJ 2, 523-533. 
A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. C. B. Aakeröy, C. L. Spartz, S. Dembowski, S. Dwyre & J. Desper (2015). IUCrJ 2, 498-510. 
Crystal structures of eight mono-methyl alkanes (C26-C32) via single-crystal and powder diffraction and DFT-D optimization. L. Brooks, M. Brunelli, P. Pattison, G. R. Jones & A. Fitch (2015). IUCrJ 2, 490-497. 
Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids. R. Dubey & G. R. Desiraju (2015). IUCrJ 2, 402-408. 
Modularity and three-dimensional isostructurality of novel synthons in sulfonamide-lactam cocrystals. G. Bolla, S. Mittapalli & A. Nangia (2015). IUCrJ 2, 389-401. 
Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. R. Kaur, R. Gautam, S. Cherukuvada & T. N. Guru Row (2015). IUCrJ 2, 341-351. 
Likelihood of atom-atom contacts in crystal structures of halogenated organic compounds. C. Jelsch, S. Soudani & C. Ben Nasr (2015). IUCrJ 2, 327-340. 
Second harmonic generation from the `centrosymmetric' crystals. V. Nalla, R. Medishetty, Y. Wang, Z. Bai, H. Sun, J. Wei & J. J. Vittal (2015). IUCrJ 2, 317-321. 
Three-dimensional electron diffraction as a complementary technique to powder X-ray diffraction for phase identification and structure solution of powders. Y. Yun, X. Zou, S. Hovmöller & W. Wan (2015). IUCrJ 2, 267-282. 
High-pressure crystallography of periodic and aperiodic crystals. C. Hejny & V. S. Minkov (2015). IUCrJ 2, 218-229. 
Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers. J. S. Wright, I. J. Vitórica-Yrezábal, H. Adams, S. P. Thompson, A. H. Hill & L. Brammer (2015). IUCrJ 2, 188-197. 
Topochemical control in desolvation of coordination polymers. M. Lusi (2015). IUCrJ 2, 166-167. 
On atom-atom `short contact' bonding interactions in crystals. C. Lecomte, E. Espinosa & C. F. Matta (2015). IUCrJ 2, 161-163. 
Intermolecular atom-atom bonds in crystals - a chemical perspective. T. S. Thakur, R. Dubey & G. R. Desiraju (2015). IUCrJ 2, 159-160. 
Intermolecular atom-atom bonds in crystals?. J. D. Dunitz (2015). IUCrJ 2, 157-158. 
Cascading time evolution of dissipative structures leading to unique crystalline textures. T. Hashimoto & H. Murase (2015). IUCrJ 2, 59-73. 
Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)2(PPh3)2]BF4 unravelled by photocrystallographic and IR analysis. N. Casaretto, S. Pillet, E. E. Bendeif, D. Schaniel, A. K. E. Gallien, P. Klüfers & T. Woike (2015). IUCrJ 2, 35-44. 
Rochelle salt - a structural reinvestigation with improved tools. I. The high-temperature para­electric phase at 308 K. F. Mo, R. H. Mathiesen, J. A. Beukes & K. M. Vu (2015). IUCrJ 2, 19-28. 
Photocrystallography reveals new metastable nitrosyl linkage isomers in the solid state. P. R. Raithby (2015). IUCrJ 2, 5-6. 
Crystallography of metal-organic frameworks. F. Gándara & T. D. Bennett (2014). IUCrJ 1, 563-570. 
Contributions of charge-density research to medicinal chemistry. B. Dittrich & C. F. Matta (2014). IUCrJ 1, 457-469. 
Location of Cu2+ in CHA zeolite investigated by X-ray diffraction using the Rietveld/maximum entropy method. C. W. Andersen, M. Bremholm, P. N. R. Vennestrøm, A. B. Blichfeld, L. F. Lundegaard & B. B. Iversen (2014). IUCrJ 1, 382-386. 
Chemical crystallography and crystal engineering. G. R. Desiraju (2014). IUCrJ 1, 380-381. 
Hirshfeld atom refinement. S. C. Capelli, H.-B. Bürgi, B. Dittrich, S. Grabowsky & D. Jayatilaka (2014). IUCrJ 1, 361-379. 
Structural basis for the transformation pathways of the sodium naproxen anhydrate-hydrate system. A. D. Bond, C. Cornett, F. H. Larsen, H. Qu, D. Raijada & J. Rantanen (2014). IUCrJ 1, 328-337. 
Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal-organic solid solution. J.-J. Jiang, J.-R. He, X.-Q. Lü, D.-W. Wang, G.-B. Li & C.-Y. Su (2014). IUCrJ 1, 318-327. 
Accurate H-atom parameters from X-ray diffraction data. L. J. Farrugia (2014). IUCrJ 1, 265-266. 
Tackling a difficult question: how do crystals of coordination polymers form?. S. L. James (2014). IUCrJ 1, 263-264. 
Aniline-phenol recognition: from solution through supramolecular synthons to cocrystals. A. Mukherjee, K. Dixit, S. P. Sarma & G. R. Desiraju (2014). IUCrJ 1, 228-239. 
Evolution of atomic structure during nanoparticle formation. C. Tyrsted, N. Lock, K. M. Ø. Jensen, M. Christensen, E. D. Bøjesen, H. Emerich, G. Vaughan, S. J. L. Billinge & B. B. Iversen (2014). IUCrJ 1, 165-171. 
Hierarchical dielectric orders in layered ferroelectrics Bi2SiO5. Y. Kim, J. Kim, A. Fujiwara, H. Taniguchi, S. Kim, H. Tanaka, K. Sugimoto, K. Kato, M. Itoh, H. Hosono & M. Takata (2014). IUCrJ 1, 160-164. 
Evidence of electronic polarization of the As ion in the superconducting phase of F-doped LaFeAsO. J. Kim, A. Fujiwara, T. Sawada, Y. Kim, K. Sugimoto, K. Kato, H. Tanaka, M. Ishikado, S. Shamoto & M. Takata (2014). IUCrJ 1, 155-159. 
Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt. P. Sanphui, G. Bolla, A. Nangia & V. Chernyshev (2014). IUCrJ 1, 136-150. 
The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis. C. Jelsch, K. Ejsmont & L. Huder (2014). IUCrJ 1, 119-128. 
Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole. A. Poulain, E. Wenger, P. Durand, K. N. Jarzembska, R. Kaminski, P. Fertey, M. Kubicki & C. Lecomte (2014). IUCrJ 1, 110-118. 
On the correlation between hydrogen bonding and melting points in the inositols. S. L. Bekö, E. Alig, M. U. Schmidt & J. van de Streek (2014). IUCrJ 1, 61-73. 
Halogen bonds in some dihalogenated phenols: applications to crystal engineering. A. Mukherjee & G. R. Desiraju (2014). IUCrJ 1, 49-60. 
Crystal landscape in the orcinol:4,4′-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters. R. Dubey, M. S. Pavan, T. N. Guru Row & G. R. Desiraju (2014). IUCrJ 1, 8-18. 
Type II halogen···halogen contacts are halogen bonds. P. Metrangolo & G. Resnati (2014). IUCrJ 1, 5-7. 

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