Crystallising trimesic acid from DMSO solutions – can crystallography teach us anything about the process of crystal nucleation?

Roger J. Davey, Monika Brychczynska, Ghazala Sadiq, Geoffrey Dent and Robin G. Pritchard

CrystEngComm, 2013, 15, 856
DOI: 10.1039/C2CE26712H

Solvent effects on chelate cooperativity

Christopher A. Hunter, Maria Cristina Misuraca and Simon M. Turega

Chem. Sci., 2012, 3, 589
DOI: 10.1039/C1SC00635E

Mesoionic compounds: the role of intermolecular interactions in their crystalline design

Priscila S. V. Lima, Gustavo H. Weimer, Leonardo P. Oliveira, Helivaldo D. S. Souza, Gabriela F. Fiss, Helio G. Bonacorso and Marcos A. P. Martins

CrystEngComm, 2023, 25, 4976
DOI: 10.1039/D3CE00554B

Energetic and topological approach for characterization of supramolecular clusters in organic crystals

Marcos A. P. Martins, Clarissa P. Frizzo, Anna C. L. Martins, Aniele Z. Tier, Izabelle M. Gindri, Alexandre R. Meyer, Helio G. Bonacorso and Nilo Zanatta

RSC Adv., 2014, 4, 44337
DOI: 10.1039/C4RA06040G

The role of attractive and repulsive interactions in the stabilization of ammonium salts structures

Gustavo H. Weimer, João P. P. Copetti, Tainára Orlando, Nilo Zanatta, Helio G. Bonacorso, Paulo R. S. Salbego and Marcos A. P. Martins

CrystEngComm, 2022, 24, 7039
DOI: 10.1039/D2CE00891B

Substituent effects on aromatic stacking interactions

Scott L. Cockroft, Julie Perkins, Cristiano Zonta, Harry Adams, Sharon E. Spey, Caroline M. R. Low, Jeremy G. Vinter, Kevin R. Lawson, Christopher J. Urch and Christopher A. Hunter

Org. Biomol. Chem., 2007, 5, 1062
DOI: 10.1039/b617576g

The nucleation of inosine: the impact of solution chemistry on the appearance of polymorphic and hydrated crystal forms

Renato A. Chiarella, Amy L. Gillon, Rebecca C. Burton, Roger J. Davey, Ghazala Sadiq, Anthony Auffret, Marina Cioffi and Christopher A. Hunter

Faraday Discuss., 2007, 136, 179
DOI: 10.1039/b616164m

Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach

M. A. P. Martins, A. R. Meyer, A. Z. Tier, K. Longhi, L. C. Ducati, H. G. Bonacorso, N. Zanatta and C. P. Frizzo

CrystEngComm, 2015, 17, 7381
DOI: 10.1039/C5CE01295C

X-ray Raman scattering: a newin situprobe of molecular structure during nucleation and crystallization from liquid solutions

Laila H. Al-Madhagi, Sin-Yuen Chang, Mahalingam Balasubramanian, Anna B. Kroner, Elizabeth J. Shotton, Elizabeth A. Willneff, Bhoopesh Mishra and Sven L. M. Schroeder

CrystEngComm, 2018, 20, 6871
DOI: 10.1039/C8CE00929E

Current directions in co-crystal growth

Nicholas Blagden, David J. Berry, Andrew Parkin, Hafsa Javed, Asim Ibrahim, Pauline T. Gavan, Luciana L. De Matos and Colin C. Seaton

New J. Chem., 2008, 32, 1659
DOI: 10.1039/b803866j

A multi-technique approach for probing the evolution of structural properties during crystallization of organic materials from solution

Colan E. Hughes, Said Hamad, Kenneth D. M. Harris, C. Richard A. Catlow and Peter C. Griffiths

Faraday Discuss., 2007, 136, 71
DOI: 10.1039/b616611c

Chemical double-mutant cycles: dissecting non-covalent interactions

Scott L. Cockroft and Christopher A. Hunter

Chem. Soc. Rev., 2007, 36, 172
DOI: 10.1039/B603842P

Self-association of organic solutes in solution: a NEXAFS study of aqueous imidazole

M. J. Thomason, C. R. Seabourne, B. M. Sattelle, G. A. Hembury, J. S. Stevens, A. J. Scott, E. F. Aziz and S. L. M. Schroeder

Faraday Discuss., 2015, 179, 269
DOI: 10.1039/C5FD00005J

Solvent effects of the structures of prenucleation aggregates of carbamazepine

Christopher A. Hunter, James F. McCabe and Andrea Spitaleri

CrystEngComm, 2012, 14, 7115
DOI: 10.1039/c2ce25941a

Effect of hydrogen bonds and π⋯π interactions on the crystallization of phenyl-perfluorophenyl amides: understanding the self-organization of a cocrystal

Anderson B. Pagliari, Alexandre R. Meyer, Vanessa B. Solner, Jéssica M. L. Rosa, Manfredo Hörner, Helio G. Bonacorso, Nilo Zanatta and Marcos A. P. Martins

CrystEngComm, 2022, 24, 5348
DOI: 10.1039/D2CE00231K

NMR crystallization: in situ NMR strategies for monitoring the evolution of crystallization processes

Colan E. Hughes, Naomi V. Ratnasingam, P. Andrew Williams, Erwan Benhenou, Rhian Patterson and Kenneth D. M. Harris

Faraday Discuss., 2025, 255, 520
DOI: 10.1039/D4FD00079J

Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid

Abhinav Joseph, Joana S. Rodrigues Alves, Carlos E. S. Bernardes, M. Fátima M. Piedade and Manuel E. Minas da Piedade

CrystEngComm, 2019, 21, 2220
DOI: 10.1039/C8CE02108B

Tailbiter: a new amide foldamer

Christopher A. Hunter, Andrea Spitaleri and Salvador Tomas

Chem. Commun., 2005, 3691
DOI: 10.1039/b506093a

The reluctant polymorph: investigation into the effect of self-association on the solvent mediated phase transformation and nucleation of theophylline

Raitis Bobrovs, Linda Seton and Nicola Dempster

CrystEngComm, 2015, 17, 5237
DOI: 10.1039/C4CE02484B

Substituent effects on the crystallization mechanisms of 7-chloro-4-substituted-quinolines

João P. P. Copetti, Paulo R. S. Salbego, Tainára Orlando, Jéssica M. L. Rosa, Gabriela F. Fiss, João P. G. de Oliveira, Mário L. A. A. Vasconcellos, Nilo Zanatta, Helio G. Bonacorso and Marcos A. P. Martins

CrystEngComm, 2020, 22, 4094
DOI: 10.1039/D0CE00214C

Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism

Anderson B. Pagliari, Jéssica M. L. Rosa, Priscila S. V. de Lima, Geórgia C. Zimmer, Maria E. C. da Silva, Érica G. de Oliveira, Helio G. Bonacorso, Nilo Zanatta and Marcos A. P. Martins

CrystEngComm, 2023, 25, 5118
DOI: 10.1039/D3CE00643C

Cocrystallization: A Solution Chemistry Perspective and the Case of Benzophenone and Diphenylamine

K. Chadwick, R. J. Davey, G. Dent, R. G. Pritchard, C. A. Hunter and D. Musumeci

Crystal Growth & Design, 2009, 9, 1990
DOI: 10.1021/cg8013078

Relationship between Solution Structure and Phase Behavior: A Neutron Scattering Study of Concentrated Aqueous Hexamethylenetetramine Solutions

R. C. Burton, E. S. Ferrari, R. J. Davey, J. L. Finney and D. T. Bowron

J. Phys. Chem. B, 2009, 113, 5967
DOI: 10.1021/jp811515u

Olanzapine crystal symmetry originates in preformed centrosymmetric solute dimers

Monika Warzecha, Lakshmanji Verma, Blair F. Johnston, Jeremy C. Palmer, Alastair J. Florence and Peter G. Vekilov

Nat. Chem., 2020, 12, 914
DOI: 10.1038/s41557-020-0542-0

2-Fluoro-N-(4-methoxyphenyl)benzamide

Aamer Saeed, Rasheed Ahmad Khera, Madiah Arfan, Jim Simpson and Roderick G. Stanley

Acta Crystallogr E Struct Rep Online, 2009, 65, o802
DOI: 10.1107/S1600536809008927

The Structure of a Supersaturated Solution: A Neutron Scattering Study of Aqueous Urea

R. C. Burton, E. S. Ferrari, R. J. Davey, J. Hopwood, M. J. Quayle, J. L. Finney and D. T. Bowron

Crystal Growth & Design, 2008, 8, 1559
DOI: 10.1021/cg700829r

Crystal structure ofN-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide

Ying Liang, Li-Qiao Shi and Zi-Wen Yang

Acta Crystallogr E Cryst Commun, 2016, 72, 60
DOI: 10.1107/S2056989015023701

Interaction Study of Co-Crystallization or Salt Formation Between 5-Hydroxyisophthalic Acid and 4,4′-Bipyridine using NMR and Powder X-Ray Diffraction

Balvinder Singh

Asian J. Chem., 2021, 33, 3103
DOI: 10.14233/ajchem.2021.23449

How to Identify the Crystal Growth Unit

Lakshmanji Verma, Monika Warzecha, Rajshree Chakrabarti, Viktor G. Hadjiev, Jeremy C. Palmer and Peter G. Vekilov

Israel Journal of Chemistry, 2021, 61, 818
DOI: 10.1002/ijch.202100081

Insight into the Precipitation Inhibition of Polymers within Cocrystal Formulations in Solution Using Experimental and Molecular Modeling Techniques

Peace Alinda, Adolfo Botana and Mingzhong Li

Crystal Growth & Design, 2025, 25, 1799
DOI: 10.1021/acs.cgd.4c01573

Polymorph-Selective Role of Hydrogen Bonding and π–π Stacking in p-Aminobenzoic Acid Solutions

Raitis Bobrovs, Laura Drunka, Andrievs Auseklis Auzins, Kristaps Jaudzems and Matteo Salvalaglio

Crystal Growth & Design, 2021, 21, 436
DOI: 10.1021/acs.cgd.0c01257

Explorations in the Dynamics of Crystalline Solids and the Evolution of Crystal Formation Processes

Kenneth D. M. Harris

Israel Journal of Chemistry, 2017, 57, 154
DOI: 10.1002/ijch.201600088

Keimbildung organischer Kristalle aus molekularer Sichtweise

Roger J. Davey, Sven L. M. Schroeder and Joop H. ter Horst

Angewandte Chemie, 2013, 125, 2220
DOI: 10.1002/ange.201204824

Review and Modeling of Crystal Growth of Atropisomers from Solutions

Lotfi Derdour, Eric J. Chan and Dimitri Skliar

Processes, 2019, 7, 611
DOI: 10.3390/pr7090611

Linking Aggregation in Solution, Solvation, and Solubility of Simvastatin: An Experimental and MD Simulation Study

Ricardo G. Simões, Pedro L. T. Melo, Carlos E. S. Bernardes, Maria T. Heilmann, Franziska Emmerling and Manuel E. Minas da Piedade

Crystal Growth & Design, 2021, 21, 544
DOI: 10.1021/acs.cgd.0c01325

Kinetic Insights into the Role of the Solvent in the Polymorphism of 5-Fluorouracil from Molecular Dynamics Simulations

Said Hamad, Changman Moon, C. Richard A. Catlow, Ashley T. Hulme and Sarah L. Price

J. Phys. Chem. B, 2006, 110, 3323
DOI: 10.1021/jp055982e

Influence of Conformational Flexibility on Complexation-Induced Changes in Chemical Shift in a Neocarzinostatin Protein−Ligand Complex

Marina Cioffi, Christopher A. Hunter and Martin J. Packer

J. Med. Chem., 2008, 51, 4488
DOI: 10.1021/jm800075r

Persistence of N—H···O═C Interactions in the Crystallization Mechanisms of Trisubstituted Bis-Ureas with Bulky Substituents

Leandro C. Lopes, Tainára Orlando, Pedro H. B. Simões, Fellipe F. S. Farias, Helio G. Bonacorso, Nilo Zanatta, Paulo R. S. Salbego and Marcos A. P. Martins

Crystal Growth & Design, 2021, 21, 5740
DOI: 10.1021/acs.cgd.1c00600

Mechanism and kinetic modeling study on the crystallization of concomitant polymorphs

Si Li, Zhixuan Wang, Mingtao Zhang, Lina Zhou, Weiwei Tang and Junbo Gong

AIChE Journal, 2024, 70
DOI: 10.1002/aic.18516

Self-assembly of a [2]Pseudorotaxane Composed of Cucurbit[6]uril into Linear Pseudopolyrotaxanes by N–H···O, C–H···O and π···π Interactions

FANG-JUN HUO, CAI-XIA YIN and PIN YANG

J Incl Phenom Macrocycl Chem, 2006, 56, 193
DOI: 10.1007/s10847-006-9082-5

Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals

Arijit Mukherjee, Karuna Dixit, Siddhartha P. Sarma and Gautam R. Desiraju

IUCrJ, 2014, 1, 228
DOI: 10.1107/S2052252514012081

Mimics of a R22(8) Hydrogen‐Bond Dimer Motif: Synthesis and Influence on the Crystallisation of Sulfathiazole and Sulfapyridine

Simon E. Lawrence, Marie T. McAuliffe and Humphrey A. Moynihan

Eur J Org Chem, 2010, 2010, 1134
DOI: 10.1002/ejoc.200901042

Pre-Nucleation Clusters Predict Crystal Structures in Models of Chiral Molecules

John E. Carpenter and Michael Grünwald

J. Am. Chem. Soc., 2021, 143, 21580
DOI: 10.1021/jacs.1c09321

The Persistence of Hydrogen Bonds in Pyrimidinones: From Solution to Crystal

Fellipe F. S. Farias, Mateus Mittersteiner, Amanda M. Kieling, Priscila S. V. Lima, Gustavo H. Weimer, Helio G. Bonacorso, Nilo Zanatta and Marcos A. P. Martins

ACS Org. Inorg. Au, 2024, 4, 557
DOI: 10.1021/acsorginorgau.4c00057

Research Progress on the Molecular Mechanism of Polymorph Nucleation in Solution: A Perspective from Research Mentality and Technique

Peng Shi, Ying Han, Zhenxing Zhu and Junbo Gong

Crystals, 2023, 13, 1206
DOI: 10.3390/cryst13081206

Glycine’s pH-Dependent Polymorphism: A Perspective from Self-Association in Solution

Weiwei Tang, Huaping Mo, Mingtao Zhang, Junbo Gong, Jingkang Wang and Tonglei Li

Crystal Growth & Design, 2017, 17, 5028
DOI: 10.1021/acs.cgd.7b00969

Understanding the Relationship between Molecular Assembly and Polymorph Selection of 4,4′,5,5′-Tetranitro-1H,1′H-[2,2′-biimidazole]-1,1′-diamine in Solution

Ying Wang, Chaoyu Wang, Dongbo Wang, Yujie Song, Hongzhen Li, Qi Zhang, Dandan Han and Junbo Gong

Crystal Growth & Design, 2024, 24, 3430
DOI: 10.1021/acs.cgd.4c00149

Probing Crystal Nucleation from Fluid Phases: The Nucleation of para-Azoxyanisole from Its Nematic Liquid Crystalline State

Sophie Janbon, Roger J. Davey and Geoffrey Dent

J. Phys. Chem. C, 2008, 112, 15771
DOI: 10.1021/jp801676w

Solvent Effects on Acridine Polymorphism

Daniele Musumeci, Christopher A. Hunter and James F. McCabe

Crystal Growth & Design, 2010, 10, 1661
DOI: 10.1021/cg901225b

Self-Assembly of C3-Symmetrical Hexaaryltriindoles Driven by Solvophobic and CH−π Interactions

Eva M. García-Frutos, Gunther Hennrich, Enrique Gutierrez, Angeles Monge and Berta Gómez-Lor

J. Org. Chem., 2010, 75, 1070
DOI: 10.1021/jo902013v

Supramolecular self-assembly and thermodynamic properties of 5-aryl-1-(1,1-dimethylethyl)-1H-pyrazoles in the crystalline state

Marcos A.P. Martins, Anderson B. Pagliari, Andrei L. Belladona, Aniele Z. Tier, Alexandre R. Meyer, Leticia V. Rodrigues, Manfredo Hörner, Clarissa P. Frizzo, Helio G. Bonacorso and Nilo Zanatta

Journal of Molecular Structure, 2019, 1195, 570
DOI: 10.1016/j.molstruc.2019.06.009

Chemical Double Mutant Cycles for the Quantification of Cooperativity in H-Bonded Complexes

Amaya Camara-Campos, Daniele Musumeci, Christopher A. Hunter and Simon Turega

J. Am. Chem. Soc., 2009, 131, 18518
DOI: 10.1021/ja9083495

Supramolecular Packing of a Series ofN-Phenylamides and the Role of NH···O═C Interactions

Anderson B. Pagliari, Tainára Orlando, Paulo R. S. Salbego, Geórgia C. Zimmer, Manfredo Hörner, Nilo Zanatta, Helio G. Bonacorso and Marcos A. P. Martins

ACS Omega, 2018, 3, 13850
DOI: 10.1021/acsomega.8b01801

Concerning the Relationship between Structural and Growth Synthons in Crystal Nucleation: Solution and Crystal Chemistry of Carboxylic Acids As Revealed through IR Spectroscopy

R. J. Davey, G. Dent, R. K. Mughal and S. Parveen

Crystal Growth & Design, 2006, 6, 1788
DOI: 10.1021/cg060058a

Speciation of Substituted Benzoic Acids in Solution: Evaluation of Spectroscopic and Computational Methods for the Identification of Associates and Their Role in Crystallization

Agris Be̅rziņš, Aina Semjonova, Andris Actiņš and Matteo Salvalaglio

Crystal Growth & Design, 2021, 21, 4823
DOI: 10.1021/acs.cgd.0c01605

Biased Bowl-Direction of Monofluorosumanene in the Solid State

Yumi Yakiyama, Minghong Li, Dongyi Zhou, Tsuyoshi Abe, Chisato Sato, Kohei Sambe, Tomoyuki Akutagawa, Teppei Matsumura, Nobuyuki Matubayasi and Hidehiro Sakurai

J. Am. Chem. Soc., 2024, 146, 5224
DOI: 10.1021/jacs.3c11311

Spectroscopic Characterization of Intermolecular Interactions in Solution and Their Influence on Crystallization Outcome

Christopher S. Towler and Lynne S. Taylor

Crystal Growth & Design, 2007, 7, 633
DOI: 10.1021/cg0602358

Highly Polymorphous Nicotinamide and Isonicotinamide: Solution versus Melt Crystallization

Noalle Fellah, Carolyn Jin Zhang, Catherine Chen, Chunhua T. Hu, Bart Kahr, Michael D. Ward and Alexander G. Shtukenberg

Crystal Growth & Design, 2021, 21, 4713
DOI: 10.1021/acs.cgd.1c00547

Understanding Nucleation Mechanism of Mefenamic Acid: An Examination of Relation between Pre-assembly Structure in Solution and Nucleation Kinetics

Jianhua Han, Mingtao Zhang, Mingdi Liu, Yumin Liu, Jiayin Zhang, Kuo Wang, Weiwei Tang and Junbo Gong

Crystal Growth & Design, 2021, 21, 6473
DOI: 10.1021/acs.cgd.1c00920

Determination Methods for Crystal Nucleation Kinetics in Solutions

Yan Xiao, Jingkang Wang, Xin Huang, Huanhuan Shi, Yanan Zhou, Shuyi Zong, Hongxun Hao, Ying Bao and Qiuxiang Yin

Crystal Growth & Design, 2018, 18, 540
DOI: 10.1021/acs.cgd.7b01223

Computational prediction of organic crystal structures and polymorphism

S. L. Price

International Reviews in Physical Chemistry, 2008, 27, 541
DOI: 10.1080/01442350802102387

Higher-Order Self-Assembly of Benzoic Acid in Solution

Weiwei Tang, Mingtao Zhang, Huaping Mo, Junbo Gong, Jingkang Wang and Tonglei Li

Crystal Growth & Design, 2017, 17, 5049
DOI: 10.1021/acs.cgd.7b01078

Nucleation of Organic Crystals—A Molecular Perspective

Roger J. Davey, Sven L. M. Schroeder and Joop H. ter Horst

Angew Chem Int Ed, 2013, 52, 2166
DOI: 10.1002/anie.201204824

Characterization of the Dense Liquid Precursor in Homogeneous Crystal Nucleation Using Solution State Nuclear Magnetic Resonance Spectroscopy

Masaharu Kimura

Crystal Growth & Design, 2006, 6, 854
DOI: 10.1021/cg050090p

Determination of Protein–Ligand Binding Modes Using Complexation-Induced Changes in 1H NMR Chemical Shift

Marina Cioffi, Christopher A. Hunter, Martin J. Packer and Andrea Spitaleri

J. Med. Chem., 2008, 51, 2512
DOI: 10.1021/jm701194r

The Relationship between Solution Structure and Crystal Nucleation: A Neutron Scattering Study of Supersaturated Methanolic Solutions of Benzoic Acid

R. C. Burton, E. S. Ferrari, R. J. Davey, J. L. Finney and D. T. Bowron

J. Phys. Chem. B, 2010, 114, 8807
DOI: 10.1021/jp103099j

From structure to chemical shift and vice-versa

Christopher A. Hunter, Martin J. Packer and Cristiano Zonta

Progress in Nuclear Magnetic Resonance Spectroscopy, 2005, 47, 27
DOI: 10.1016/j.pnmrs.2005.06.001

Synthesis and evaluation of fully (5-amidoisophthalic acid)-functionalised polyacrylamides as selective inhibitors of the beta crystal polymorph of l-glutamic acid

Dawn M. Kelly and Humphrey A. Moynihan

Tetrahedron, 2010, 66, 5459
DOI: 10.1016/j.tet.2010.05.023