Мақола

Crystal structure and Hirshfeld surface analysis of 5-bromo-1,3,4-thiadiazol-2-amine

Bаtirbаy TоrаmbеtоvNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanMiyribek DjiemuratovNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanAbdusamat RasulovTermez University of Economics and Service, 41B Farovon St., Termiz, 190111, UzbekistanMehmet AkkurtDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TürkiyeGizachew Mulugeta ManaheloheDepartment of Chemistry, University of Gondar, PO Box 196, Gondar, EthiopiaKhudayar I. HasanovAzerbaijan Medical University, Scientific Research Centre (SRC), A. Kasumzade St. 14, AZ 1022, Baku, AzerbaijanPunhan J. JamalovDepartment of Chemical Engineering, Baku Engineering University, Khirdalan, Hasan Aliyev str. 120, AZ0101, Absheron, Azerbaijan

Acta Crystallographica Section E Crystallographic Communicationsjournal2026en

ABI

Аннотация

In the crystal of the title compound, C 2 H 2 BrN 3 S, N—H...N hydrogen bonds connect the molecules in the form of hydrogen-bonded double-layered ribbons along the c -axis direction including R 2 2 (8) and R 2 1 (3) motifs, which extend to double layers in the bc -plane through the same hydrogen bonding albeit at different angles. The actual packing between these layers appears to also be a result of weak vdW interactions (Br/S, Br/Br) as well as Br–Br repulsion (steric and/or electrostatic). Looking along b or slightly deviating from that direction shows that the latter adopt a zipper pattern in order to not get too close to each other. Hirshfeld surface analysis indicates that N...H/H...N, Br...S/S...Br, Br...Br and H...H contacts account for 69.3% of the total contributions to the Hirshfeld surface.

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Мавзулар

Crystal structures of chemical compounds Crystallography and molecular interactions Nonlinear Optical Materials Research

Идентификаторлар

DOI: 10.1107/s2056989026005335

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