2026/05/28 by Mohd Abdul Fatah Abdul Manan, David B. Cordes, Aidan P. McKay · 1 voice
Chemistry · Pharmacology, Toxicology and Pharmaceutics · #Crystal structures of chemical compounds #Synthesis and Reactions of Organic Compounds #Fluorine in Organic Chemistry
paper · doi:10.1107/s205698902600561x
openalex publication_date 2026/05/28 · openalex created_date 2026/06/03 · openalex updated_date 2026/07/12
The title solvate, C 16 H 11 F 2 N 3 OS 2 ·C 2 H 6 OS, crystallized with two independent molecules ( A and B ) in the asymmetric unit. Both molecules exhibit an L-shaped geometry but slightly differ in the orientation of the o -fluorobenzyl ring with respect to the 5-fluoroisatin ring: this dihedral angle is 89.1 (5)° in molecule A and 86.3 (5)° in molecule B . In the crystal, the A and B molecular conformations are stabilized via N—H...O intramolecular hydrogen bonds. Both independent molecules are linked via a weak directional C—H...F intermolecular hydrogen bond, resulting in the formation of dimers. The supramolecular network mainly comprises C ar —H...F and C ar —H...S hydrogen bonds, homohalogen Type I F...F halogen...halogen bonds and S...O chalcogen bonds.