Abstract
The title compound, C14H8N4O6, a new 1,2,5-oxadiazole N-oxide derivative, was formed by dimerization of 4-nitrobenzaldehyde oxime. The compound crystallizes with two independent molecules per asymmetric unit. The N-oxide O atom is disordered over two sites in each molecule; site occupancy factors are 0.57/0.43 and 0.5/0.5. The mean planes through the two benzene rings are inclined to the planar 1,2,3-oxadiazole ring by 25.03 (11) and 41.64 (11)° in one molecule, and 22.58 (11) and 42.66 (11)° in the other molecule, the smaller angle being for the ring on the oxide side of the oxadiazole ring in each case. In the crystal structure, the individual molecules form centrosymmetric dimers linked via C—H⋯O hydrogen bonds. The dimers of one molecule are then linked to those of the other molecule via C—H⋯O hydrogen bonds, forming a three-dimensional network.
Highlights
The title compound, C14H8N4O6, a new 1,2,5-oxadiazole Noxide derivative, was formed by dimerization of 4-nitrobenzaldehyde oxime
The N-oxide O atom is disordered over two sites in each molecule; site occupancy factors are 0.57/0.43 and 0.5/0.5
The mean planes through the two benzene rings are inclined to the planar 1,2,3-oxadiazole ring by 25.03 (11) and 41.64 (11) in one molecule, and
Summary
Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.003 Å; disorder in main residue; R factor = 0.060; wR factor = 0.133; data-to-parameter ratio = 16.2. The title compound, C14H8N4O6, a new 1,2,5-oxadiazole Noxide derivative, was formed by dimerization of 4-nitrobenzaldehyde oxime. The mean planes through the two benzene rings are inclined to the planar 1,2,3-oxadiazole ring by 25.03 (11) and 41.64 (11) in one molecule, and. 22.58 (11) and 42.66 (11) in the other molecule, the smaller angle being for the ring on the oxide side of the oxadiazole ring in each case. The individual molecules form centrosymmetric dimers linked via C—H O hydrogen bonds. The dimers of one molecule are linked to those of the other molecule via C—H O hydrogen bonds, forming a three-dimensional network. Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BG2154)
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