Structural Chemistry - Acta Crystallographica Section C publishes exciting science with structural content, especially results related to the chemical sciences. We are the journal of choice for research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. We encourage authors to include mainstream science in their papers and produce well-rounded scientific contributions that appeal to a broad community of readers and increase authors’ profiles.

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Synthesis, structure and blue‐light emission of a zero‐dimensional zinc halide with the 4‐(4‐chlorophenyl)pyridinium cation

  •  14 July 2025

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Synthesis, structure and blue-light emission of a zero-dimensional zinc halide with the 4-(4-chlorophenyl)pyridinium cation Issue ,

The hybrid halide [HCPP]2[ZnBr4] [HCPP is 4-(4-chlorophenyl)pyridinium] exhibits efficient blue emission centred at 432 nm with a photoluminescence quantum yield of 56.35%.

research papers
Open access

Good data with `bad' reflections: the employment of non-spherical scattering factors in the redetermination of the structure of O-ethyl N-phenylcarbamate

  •  10 July 2025

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Good data with `bad' reflections: the employment of non-spherical scattering factors in the redetermination of the structure of O-ethyl N-phenylcarbamate Issue ,

The structure of O-ethyl N-phenylthiocarbamate has been redetermined. Layers of hydrogen-bonded dimers lie parallel to (031). A refinement using nonspherical scattering factors greatly reduced the number and severity of badly-fitting reflections.

research papers

Supramolecular architectures in the crystal structures of six chromone derivatives: Hirshfeld surface and energy framework analyses

  •  7 July 2025

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Supramolecular architectures in the crystal structures of six chromone derivatives: Hirshfeld surface and energy framework analyses Issue ,

The crystal structures of six new chromone derivatives have been determined and analysed using single-crystal X-ray diffraction. An analysis of the intermolecular hydrogen bonding was further supported by pairwise energy calculations and visualized using the energy framework approach.

research papers

Novel bioactive coumarin derivatives: structural features and predictive bioactivity evaluation

  •  4 July 2025

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Novel bioactive coumarin derivatives: structural features and predictive bioactivity evaluation Issue ,

The capacity of coumarin to be functionalized makes it an important molecule for designing novel derivatives to treat autoimmune diseases. The total structural elucidation of new derivatives and in silico evaluation contributes to a better assessment of their potential bioactivities.

editorial

Electron diffraction in structural chemistry

  •  374-375
  •  26 June 2025

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Electron diffraction in structural chemistry Issue 7, 2025

An overview of the development of electron diffraction and an introduction to the special issue Advances in Electron Diffraction for Structural Determination.

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The following is a list of the most cited articles based on citations published in the last three years, according to CrossRef.

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Crystal structure refinement with SHELXL

  •  3-8
  •  8 January 2015
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A Reinvestigation of β‐Gallium Oxide

  •  1336-1338
  •  June 1996
No abstract is available for this article.
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Halogen bonds, chalcogen bonds, pnictogen bonds, tetrel bonds and other σ‐hole interactions: a snapshot of current progress

  •  204-216
  •  22 May 2023

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Halogen bonds, chalcogen bonds, pnictogen bonds, tetrel bonds and other σ-hole interactions: a snapshot of current progress Issue 6, 2023

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.

77Se and 125Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals

  •  517-523
  •  12 September 2022

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77Se and 125Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals Issue 10, 2022

Three new chalcogen-bonded cocrystals were synthesized and characterized by single-crystal X-ray diffraction, powder X-ray diffraction and 77Se/125Te magic-angle spinning NMR spectroscopy.

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