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Reviews of Chemical Crystallography

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Inorganic Chemistry".

Deadline for manuscript submissions: 31 May 2025 | Viewed by 1877

Special Issue Editor

Special Issue Information

Dear Colleagues,

In the field of chemistry, clarifying the 3D structure of compounds is as important as promoting science that utilizes this information, for example, proving that a compound has been synthesized correctly; determining the stereochemistry and isomers of a compound beyond the composition and atomic bonds obtained in identification analysis; elucidating the possibility of intermolecular interactions and supramolecular formation; and combining three-dimensional structures, such as docking with complex functional materials (porous materials and guest molecules) and nucleic acids and proteins (biomolecules and pharmaceuticals, etc.). This Special Issue covers all chemical fields (organic chemistry, inorganic chemistry, solid-state chemistry, complex chemistry, biochemistry, etc.) related to the “use of crystallography in chemistry” based on crystal analysis, which is still the main method for determining three-dimensional structures.

We welcome papers and reviews on the following topics: the principles of and equipment used for crystal structure analysis (devices, quantum beams, crystallization and sample preparation), analysis programs, mathematical algorithms, compound structure reports, computational chemistry, data derived from crystal databases, etc.

Prof. Dr. Takashiro Akitsu
Guest Editor

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Keywords

  • crystal chemistry
  • structural chemistry
  • solid-state chemistry
  • crystal structure analysis
  • crystal structure database

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Published Papers (2 papers)

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Research

11 pages, 2575 KiB  
Article
Concentration Gradient-Induced Syntheses and Crystal Structures of Two Copper(II) Coordination Polymer Based on Phthalic Acid and 2,2′-Bipyridine
by Tao Zhou, Gengyi Zhang, Chunhong Tan, Yong Liu and Xiao-Feng Wang
Molecules 2025, 30(9), 1953; https://doi.org/10.3390/molecules30091953 - 28 Apr 2025
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Abstract
The reaction of copper nitrate, phthalic acid (1,2-H2BDC), and bipyridine in ammonia/ethanol media affords two multi-copper (II) cluster-based coordination polymers, namely {[Cu4(bpy)4(OH)2(BDC)2]·2OH·13H2O}n (USC-CP-6) and {[Cu2(BDC)2 [...] Read more.
The reaction of copper nitrate, phthalic acid (1,2-H2BDC), and bipyridine in ammonia/ethanol media affords two multi-copper (II) cluster-based coordination polymers, namely {[Cu4(bpy)4(OH)2(BDC)2]·2OH·13H2O}n (USC-CP-6) and {[Cu2(BDC)2(bpy)2(H2O)]·3H2O}n (USC-CP-7), under ambient conditions, with CP-6 forming at the bottom and CP-7 at the upper edge of the same beaker. The single-crystal structures reveal that it is a rare case of gradient-induced formation of different multi-copper(II) cluster-based CPs within a single-solution chemical reaction. CP-6 crystallizes in the monoclinic system, sp. gr. P21/c, and is composed of chair-like tetranuclear [Cu4(μ3-OH)2(bpy)4(BDC)2]2+ clusters as secondary building units, bridged by BDC2− ligands to form a two-dimensional layer framework, while CP-7 crystallizes in the monoclinic system, sp. gr. P21/n, with binuclear [Cu2(1,2-BDC)2(bpy)2(H2O)] clusters linked by bridging BDC2− ligands to form a one-dimensional looped double chain. Through intermolecular ππ stacking and hydrogen bonds between the coordination water, lattice water, and free oxygen atoms from carboxylate, both compounds yield a 3D supramolecular structure. Full article
(This article belongs to the Special Issue Reviews of Chemical Crystallography)
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17 pages, 3655 KiB  
Article
Crystal Structures of d-Lyxono-1,4-lactone and Its O-Tosyl Derivative
by Anna Sosnowska, Jarosław Chojnacki, Justyna Samaszko-Fiertek, Janusz Madaj and Barbara Dmochowska
Molecules 2025, 30(2), 287; https://doi.org/10.3390/molecules30020287 - 13 Jan 2025
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Abstract
γ- and δ-lactones were formed by bromine oxidation of commercially available D-lyxose, as confirmed by IR analysis. The former was isolated, and its structure was confirmed by NMR spectra and X-ray analysis. In this structure, the presence of both intermolecular and intramolecular hydrogen [...] Read more.
γ- and δ-lactones were formed by bromine oxidation of commercially available D-lyxose, as confirmed by IR analysis. The former was isolated, and its structure was confirmed by NMR spectra and X-ray analysis. In this structure, the presence of both intermolecular and intramolecular hydrogen bonds was found. Intermolecular interactions in the crystal were illustrated using the Hirshfeld surfaces. Due to steric reasons, 3,5-O-isopropylidene-d-lyxono-1,4-lactone was formed, which in a further step led to the formation of a 2-O-tosyl derivative. Its structure was confirmed by X-ray diffraction analysis. The additional ring of the O-isopropylidene derivative caused the lactone ring to change conformation to 3E. In the crystal structure of this compound, only C-H⸱⸱⸱O intermolecular interactions were present, as confirmed by the Hirshfeld surface analysis. Full article
(This article belongs to the Special Issue Reviews of Chemical Crystallography)
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