2026-09-30T14:35:37Z https://www.eurjchem.com/index.php/eurjchem/oai

oai:ojs.www.eurjchem.com:article/2815 2026-09-30T06:12:03Z eurjchem:ART driver

Crystal structure and supramolecular assembly of a hydrogen-bonded cocrystal of 2-fluoro-N-(pyrrolidine-1-carbonothioyl)benzamide and 1,3,5-triazinane-2,4,6-trithione Yahaya, Ahmad Solmaz, Ummuhan Arslan, Hakan Cocrystal Trithione Acylthiourea Hydrogen bonding Supramolecular assembly Single-crystal X-ray diffraction An unexpected 1:1 cocrystal of 2-fluoro-N-(pyrrolidine-1-carbonothioyl)benzamide and 1,3,5-triazinane-2,4,6-trithione (trithiocyanuric acid, TTCA) was isolated during an attempted synthesis of the single-component benzoylthiourea derivative and characterized by single-crystal X-ray diffraction. The compound crystallizes in the triclinic space group P-1 with one molecule of each component in the asymmetric unit. The fluorinated benzamide derivative adopts a non-planar conformation in which the carbonyl-bearing fragment is twisted relative to the aromatic ring, while the pyrrolidine ring is puckered. The trithione component is nearly planar and displays narrow ranges of C-S and C-N distances, consistent with delocalization within the heterocyclic framework. A nearly linear N3-H3···O1 hydrogen bond [N···O = 2.932(3) Å, N-H···O = 171(3)°] forms a heteromolecular associate. Further N-H···S contacts connect symmetry-related components, producing an extended hydrogen-bonded arrangement supplemented by weaker C-H···S and C-H···F contacts. The crystal packing is governed by cooperative N-H···O and N-H···S interactions. Atlanta Publishing House LLC 2026-09-30 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf text/plain https://www.eurjchem.com/index.php/eurjchem/article/view/2815 10.5155/eurjchem.17.3.268-279.2815 European Journal of Chemistry; Vol. 17 No. 3 (2026): September 2026; 268-279 2153-2257 2153-2249 eng https://www.eurjchem.com/index.php/eurjchem/article/view/2815/3066 https://www.eurjchem.com/index.php/eurjchem/article/view/2815/3067 Copyright (c) 2026 Ahmad Yahaya, Ummuhan Solmaz, Hakan Arslan https://creativecommons.org/licenses/by-nc/4.0