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4-Bromoacetyl-3-phenylsydnone
In the title compound (systematic name: 4-bromoacetyl-1,2,3-oxadiazol-3-ylium-5-olate), C(10)H(7)BrN(2)O(3), the 1,2,3-oxadiazole ring and bromoacetyl group are essentially planar [maximum deviation = 0.010 (4) and 0.013 (3) Å respectively] and form dihedral angles of 59.31 (19) and 67.96 (11)°, re...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393916/ https://www.ncbi.nlm.nih.gov/pubmed/22798781 http://dx.doi.org/10.1107/S1600536812026049 |
Sumario: | In the title compound (systematic name: 4-bromoacetyl-1,2,3-oxadiazol-3-ylium-5-olate), C(10)H(7)BrN(2)O(3), the 1,2,3-oxadiazole ring and bromoacetyl group are essentially planar [maximum deviation = 0.010 (4) and 0.013 (3) Å respectively] and form dihedral angles of 59.31 (19) and 67.96 (11)°, respectively, with the phenyl ring. The 1,2,3-oxadiazole ring is twisted slightly from the mean plane of the bromoacetyl group, forming a dihedral angle of 9.16 (24)°. In the crystal, molecules are linked by pairs of weak C—H⋯O hydrogen bonds into inversion dimers with R (2) (2)(12) ring motifs. The dimers are further connected by weak C—H⋯O hydrogen bonds into an infinite tape parallel to the b axis. In addition, π–π stacking interactions [centroid–centroid distance = 3.6569 (19) Å] and short intermolecular contacts [O⋯O = 2.827 (3) and C⋯C = 3.088 (5) Å] are observed. |
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