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Crystal structure and Hirshfeld surface analysis of ( E )-3-[(4-fluoro-benzyl-idene)amino]-5-phenyl-thia-zolidin-2-iminium bromide.

Authors :
Khalilov AN
Atioğlu Z
Akkurt M
Duruskari GS
Toze FAA
Huseynova AT
Source :
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Apr 18; Vol. 75 (Pt 5), pp. 662-666. Date of Electronic Publication: 2019 Apr 18 (Print Publication: 2019).
Publication Year :
2019

Abstract

In the cation of the title salt, C <subscript>16</subscript> H <subscript>15</subscript> FN <subscript>3</subscript> S <superscript>+</superscript> ·Br <superscript>-</superscript> , 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.

Details

Language :
English
ISSN :
2056-9890
Volume :
75
Issue :
Pt 5
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Crystallographic communications
Publication Type :
Academic Journal
Accession number :
31110807
Full Text :
https://doi.org/10.1107/S2056989019004973