Special Issue "Crystal Structure Analysis of Supramolecular and Porous Solids"

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".

Deadline for manuscript submissions: 31 December 2017

Special Issue Editor

Guest Editor
Prof. Dr. Dmitriy V Soldatov

University of Guelph, Department of Chemistry, Canada
Website | E-Mail
Interests: supramolecular materials; inclusion compounds; porous solids; crystal engineering; molecular crystals; semi-crystalline polymers; reactivity in the solid state

Special Issue Information

Dear Colleagues,

Supramolecular chemistry emerged as a powerful tool for chemists to create new materials from already known molecules. In a supramolecular solid, dissimilar molecules complement each other to build a new, highly organized structure, as seen in host–guest complexes, inclusion compounds, pharmaceutical co-crystals, supramolecular polymers, biomimetic materials, or mechanically interlocked molecular assemblies.

Supramolecular solids are a new target in materials science, where desired properties in a material can be predicted and generated through a specific arrangement of the molecules in the 3D structure. A range of physical (e.g., optical, electrical, magnetic), chemical (thermal stability, reactivity, catalysis) and biomedical (toxicity, bioavailability) properties have been created or tuned in various solids using this approach known as crystal engineering.

Porous solids, with uniform pores on molecular or nano scale, are produced from supramolecular solids. In the first step of this production, a guest template is used to shape a desired topology of pores with specific sorption, catalytic or ion-exchange capabilities. At a later stage, the guest template is removed to yield a zeolite, mesoporous silica, porous metal organic framework material, or porous material based on weaker interactions.

Crystal structure analysis is a primary characterization method in the design and study of supramolecular and porous solids. It provides the most critical information about the spatial arrangement of molecules in the crystal, topology and geometry of the cavity space, intermolecular interactions, as well as any changes in the structure induced by temperature, pressure or guest inclusion/removal. This Special Issue deals with all aspects of such research. The topics include, but are not limited to:

  • Design of new host molecules and host materials
  • Preparation and characterization of inclusion compounds
  • Design and characterization of co-crystals
  • Design of porous frameworks
  • Studies on weak intermolecular interactions in supramolecular solids
  • Studies on molecular disorder and dynamics in molecular crystals
  • Structural studies of phase transitions in supramolecular and porous solids
  • Database studies on supramolecular and porous solids

Prof. Dr. Dmitriy V Soldatov
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1000 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


  • supramolecular chemistry
  • crystal engineering
  • inclusion compounds
  • clathrates
  • cocrystals
  • metal organic frameworks
  • covalent organic frameworks
  • hydrogen-bonded organic frameworks
  • nanoporous materials
  • organic zeolites
  • pseudopolymorphism
  • phase transitions in crystals

Published Papers (2 papers)

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Open AccessArticle Breathing 3D Frameworks with T-Shaped Connecting Ligand Exhibiting Solvent Induction, Metal Ions Effect and Luminescent Properties
Crystals 2017, 7(10), 311; doi:10.3390/cryst7100311 (registering DOI)
Received: 18 August 2017 / Revised: 6 October 2017 / Accepted: 13 October 2017 / Published: 17 October 2017
PDF Full-text (8566 KB) | XML Full-text | Supplementary Files
To study the structural effects in three-dimensional porous coordination polymers, three novel flexible porous coordination polymers—[Cd2(bpdc)2](DMF)3(H2O) (1) and [M(bpdc)](DMF)(H2O) (M = Cd (2), Zn (3))—have been synthesized
[...] Read more.
To study the structural effects in three-dimensional porous coordination polymers, three novel flexible porous coordination polymers—[Cd2(bpdc)2](DMF)3(H2O) (1) and [M(bpdc)](DMF)(H2O) (M = Cd (2), Zn (3))—have been synthesized under solvothermal conditions with d10 block metal ions and T-shaped connecting ligand. Complexes 13 crystallize in different space groups, but they display the same ant network. The first two complexes can transform into each other via the alteration of guest, whereas complex 3 shows no structural change. The structural details reveal that the size of metal ions might be responsible for the transformation of porous frameworks. Furthermore, luminescent properties have been explored, and a guest-dependent shift of emission peaks was observed, suggesting potential application of the complexes as a probe. Full article
(This article belongs to the Special Issue Crystal Structure Analysis of Supramolecular and Porous Solids)
Open AccessArticle Substituent Effects on the Crystal Structures of Salts Prepared from (R)-2-Methoxy-2-(1-naphthyl)propanoic Acid and (R)-1-Arylethylamines
Crystals 2017, 7(9), 263; doi:10.3390/cryst7090263
Received: 26 July 2017 / Revised: 15 August 2017 / Accepted: 22 August 2017 / Published: 28 August 2017
PDF Full-text (13279 KB) | HTML Full-text | XML Full-text | Supplementary Files
The crystal structures of salts 69 prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid [(R)-MαNP acid, (R)-1] and (R)-1-arylethylamines [salt 6, (R)-1-(4-methoxyphenyl)ethylamine∙(R)-1; salt 7, (R)-1-(4-fluorophenyl)ethylamine∙(
[...] Read more.
The crystal structures of salts 69 prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid [(R)-MαNP acid, (R)-1] and (R)-1-arylethylamines [salt 6, (R)-1-(4-methoxyphenyl)ethylamine∙(R)-1; salt 7, (R)-1-(4-fluorophenyl)ethylamine∙(R)-1; salt 8, (R)-1-(4-chlorophenyl)ethylamine∙(R)-1; and salt 9, (R)-1-(3-chlorophenyl)ethylamine∙(R)-1] were elucidated by X-ray crystallography. The solid-state associations and conformations of the MαNP salts were defined using the concepts of supramolecular- and planar chirality, respectively, and the crystal structures of salts 69 were interpreted as a three-step hierarchical assembly. The para-substituents of the (R)-1-arylethylammonium cations were found on sheet structures consisting of 21 columns. Thus, salts possessing smaller para-substituents, that is, salt 7 (p-F) and salt 9 (p-H), and larger para-substituents, that is, salt 6 (p-OMe) and salt 8 (p-Cl), crystallized in the space groups P21 and C2, respectively. Additionally, weak intermolecular interactions, that is, aromatic C–H···π, C–H···F, and C–H···O interactions, were examined in crystalline salts 69. Full article
(This article belongs to the Special Issue Crystal Structure Analysis of Supramolecular and Porous Solids)

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