Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluorobenzo[c][1,2,5]selenadiazol-1-ium chloride

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-03-01 DOI:10.1107/S2056989025001379

Atash V. Gurbanov , Tuncer Hökelek , Gunay Z. Mammadova , Khudayar I. Hasanov , Tahir A. Javadzade , Alebel N. Belay

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引用次数: 0

Abstract

Charge-assisted chalcogen bonds with Se⋯Cl separations of 2.883 (2) and 3.030 (2) Å aggregate the title compound into a supramolecular dimer.

The asymmetric unit of the title salt, C₆H₄FN₂Se⁺·Cl⁻, contains one planar 4-fluorobenzo[c][1,2,5]selenadiazol-1-ium molecular cation and a chloride anion. In the crystal, intermolecular N—H⋯Cl hydrogen bonds link the 4-fluorobenzo[c][1,2,5]selenadiazol-1-ium molecules, which are arranged in parallel layers along (104), to the chloride anions. The cationic layers, in turn, are stacked along [001]. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯Cl/Cl⋯H (22.6%), H⋯F/F⋯H (13.9%), H⋯N/N⋯H (11.9%), H⋯C/C⋯H (10.2%) and H⋯H (7.7%) interactions. The volume of the crystal voids and the percentage of free space were calculated to be 44.80 Å³ and 5.91%, showing that there is no large cavity in the crystal packing.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.

Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluoro­benzo[c][1,2,5]selena­diazol-1-ium chloride

Abstract

Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluorobenzo[c][1,2,5]selenadiazol-1-ium chloride