• Issue

    Acta Crystallographica Section C: Volume 79, Issue 6

    204-262
    June 2023

topical reviews

Open Access

Halogen bonds, chalcogen bonds, pnictogen bonds, tetrel bonds and other σ-hole interactions: a snapshot of current progress

  • Pages: 204-216
  • First Published: 22 May 2023
Halogen bonds, chalcogen bonds, pnictogen bonds, tetrel bonds and other σ-hole interactions: a snapshot of current progress

A compilation of review articles on σ-hole interactions published since 2013 is presented alongside an overview of the 11 articles in the special issue on this topic.

research papers

Open Access

Synthesis of 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of two intermediates and three final products

  • Pages: 227-236
  • First Published: 04 May 2023
Synthesis of 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of two intermediates and three final products

A versatile synthesis is reported for 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidines and structures are reported for three examples, one of them in two crystal forms, as well as for two intermediates in the synthetic sequence. A diverse range of hydrogen-bonding patterns leads to supramolecular assemblies ranging from finite zero-dimensional aggregates to three-dimensional framework structures.

New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies

  • Pages: 237-248
  • First Published: 04 May 2023
New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies

The current study demonstrates the cocrystallization of pyrazinamide with homophthalic acid employing the reflux method, and the cocrystallization of the commercially available heterocyclic drug carbamazepine with 5-chlorosalicylic acid, trans-cinnamic acid and nicotinamide. The synthesized cocrystals were characterized by FT–IR, PXRD and SC-XRD techniques, followed by thermal stability studies based on DSC and TGA analysis.

Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide

  • Pages: 249-256
  • First Published: 24 May 2023
Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide

N-[(4-Fluorophenyl)sulfanyl]phthalimide (FP) was investigated via quantum chemical analysis. Theoretical calculations (DFT) were used to predict the chemical and biological activities, and druglikeness results indicate that FP has a good physicochemical profile. These results can be used for future studies on drug development. Moreover, since FP is close to the nontoxicology limit, experimental in vitro studies could further support its potential as a drug candidate.

Tb2–xNdxZn17–yNiy (x = 0.5, y = 4.83): a new intermetallic with a maximum disordered structure and its hydrogen storage properties

  • Pages: 257-262
  • First Published: 24 May 2023
Tb2–xNdxZn17–yNiy (x = 0.5, y = 4.83): a new intermetallic with a maximum disordered structure and its hydrogen storage properties

The crystal structure of the new intermetallic Tb2–xNdxZn17–yNiy (x = 0.5, y = 4.83), with a maximum disordered structure, has been determined by single-crystal X-ray diffraction. It represents the structure family based on the Th2Zn17 structure type.