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Synthesis, crystal structure and Hirshfeld surface analysis of (3 Z )-4-[(4-amino-1,2,5-oxa-diazol-3-yl)amino]-3-bromo-1,1,1-tri-fluoro-but-3-en-2-one.

Firudin I GuseinovSevim Türktekin ÇelikesirMehmet AkkurtViacheslav O OvsyannikovBogdan I UgrakOksana M LavrovaAida I SamigullinaAjaya Bhattarai
Published in: Acta crystallographica. Section E, Crystallographic communications (2024)
In the title compound, C 6 H 4 BrF 3 N 4 O 2 , the oxa-diazole ring is essentially planar with a maximum deviation of 0.003 (2) Å. In the crystal, mol-ecular pairs are connected by N-H⋯N hydrogen bonds, forming dimers with an R 2 2 (8) motif. The dimers are linked into layers parallel to the (10) plane by N-H⋯O hydrogen bonds. In addition, C-O⋯π and C-Br⋯π inter-actions connect the mol-ecules, forming a three-dimensional network. The F atoms of the tri-fluoro-methyl group are disordered over two sites in a 0.515 (6): 0.485 (6) ratio. The inter-molecular inter-actions in the crystal structure were investigated and qu-anti-fied using Hirshfeld surface analysis.
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