Synthesis and crystal structure analysis of 1-ethyl-1,3-di-hydro-2H-benzo[d]imidazole-2-thione.

IF 0.5 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-28 eCollection Date: 2025-02-01 DOI:10.1107/S2056989025000519

Atash V Gurbanov, Firudin I Guseinov, Aida I Samigullina, Tuncer Hökelek, Khudayar I Hasanov, Tahir A Javadzade, Alebel N Belay

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引用次数: 0

Abstract

The asymmetric unit of the title compound, C₉H₁₀N₂S, contains two crystallographically independent, almost planar, mol-ecules. In the crystal, inter-mole-cular N-H⋯S hydrogen bonds link the mol-ecules into pseudocentrosymmetric dimers, enclosing R ₂ ²(8) ring motifs. There are mutual π-π inter-actions between the five- and six-membered rings of each independent mol-ecule in the chosen asymmetric unit, with ring centroid-to-centroid distances of 3.6685 (12) and 3.7062 (12) Å. A weak C-H⋯π(ring) inter-action is also observed. The N-H⋯S hydrogen bonds, the π-π inter-actions and the weak C-H⋯π(ring) inter-action are effective in the stabilization of the crystal structure. The structure was refined as an inversion twin with a component occupancy ratio of 0.546 (15):0.454 (16).

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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.