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Synthesis, crystal structure and Hirshfeld surface analysis of (3Z)-4-[(4-amino-1,2,5-oxadiazol-3-yl)- amino]-3-bromo-1,1,1-trifluorobut-3-en-2-one.

Authors :
Guseinov, Firudin I.
Çelikesir, Sevim Türktekin
Akkurt, Mehmet
Ovsyannikov, Viacheslav O.
Ugrak, Bogdan I.
Lavrova, Oksana M.
Samigullina, Aida I.
Bhattarai, Ajaya
Source :
Acta Crystallographica Section E: Crystallographic Communications; Jun2024, Vol. 80 Issue 7, Following p582-585, 8p
Publication Year :
2024

Abstract

In the title compound, C<subscript>6</subscript>H<subscript>4</subscript>BrF<subscript>3</subscript>N<subscript>4</subscript>O<subscript>2</subscript>, the oxa­diazole ring is essentially planar with a maximum deviation of 0.003 (2) Å. In the crystal, mol­ecular pairs are connected by N—H⋯N hydrogen bonds, forming dimers with an R<subscript>2</subscript>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 inter­actions connect the mol­ecules, forming a three-dimensional network. The F atoms of the tri­fluoro­methyl group are disordered over two sites in a 0.515 (6): 0.485 (6) ratio. The inter­molecular inter­actions in the crystal structure were investigated and qu­anti­fied using Hirshfeld surface analysis. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
80
Issue :
7
Database :
Complementary Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
177889470
Full Text :
https://doi.org/10.1107/S2056989024004080