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4-Bromo-acetyl-3-phenyl-sydnone.

ABSTRACT:

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 bromo-acetyl 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 bromo-acetyl group, forming a dihedral angle of 9.16 (24)°. In the crystal, mol-ecules 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 inter-actions [centroid-centroid distance = 3.6569 (19) Å] and short inter-molecular contacts [O⋯O = 2.827 (3) and C⋯C = 3.088 (5) Å] are observed.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3393916 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 4-(2-bromo-prop-ion-yl)-3-phenyl-sydnone.

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