Abstract
In the cation of the title salt, C16H15FN3S+·Br-, the phenyl ring is disordered over two sets of sites with a refined occupancy ratio of 0.503 (4):0.497 (4). The mean plane of the thia-zolidine ring makes dihedral angles of 13.51 (14), 48.6 (3) and 76.5 (3)° with the fluoro-phenyl ring and the major- and minor-disorder components of the phenyl ring, respectively. The central thia-zolidine ring adopts an envelope conformation. In the crystal, centrosymmetrically related cations and anions are linked into dimeric units via N-H⋯Br hydrogen bonds, which are further connected by weak C-H⋯Br hydrogen bonds into chains parallel to [110]. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (44.3%), Br⋯H/H⋯Br (16.8%), C⋯H/H⋯C (13.9%), F⋯H/H⋯F (10.3%) and S⋯H/H⋯S (3.8%) inter-actions.
Highlights
Centrosymmetrically related cations and anions are linked via pairs of N—HÁ Á ÁBr hydrogen bonds (Table 1) into dimeric units forming rings of R24(8) graph-set motif (Fig. 2)
The dimers are further connected by weak C—HÁ Á ÁBr interactions to form chains running parallel to [110]
Hirshfeld surface analysis was used to investigate the presence of hydrogen bonds and intermolecular interactions in the crystal structure
Summary
Noncovalent interactions, both intermolecular and intramolecular, occur in virtually every substance and play an important role in the synthesis, catalysis, design of materials and biological processes (Akbari et al, 2017; Gurbanov et al, 2018; Kopylovich et al, 2011; Maharramov et al, 2010; Mahmoudi et al, 2018a,b,c; Mahmudov et al, 2011, 2013, 2014a,b, 2015, 2017a,b, 2019; Shixaliyev et al, 2013, 2018). Schiff bases and related hydrazone ligands and their complexes have attracted attention over the past decades due to their potential biological, pharmacological and analytical applications (Kopylovich et al, 2011; Mahmoudi et al, 2018a,b,c; Mahmudov et al, 2013). Symmetry codes: (i) Àx þ 1; Ày; Àz þ 1; (ii) x þ 1; y þ 1; z
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