6533b7d5fe1ef96bd1264f39
RESEARCH PRODUCT
false
subject
chemistry.chemical_classificationStereochemistryHydrogen bondNitro compoundGeneral MedicineCrystal structure010402 general chemistry010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciences0104 chemical sciencesCrystallographychemistry.chemical_compoundchemistryNitroDiazoleBenzeneUnit (ring theory)description
The title compound, C17H14ClN3O4, was prepared by the Huisgen reaction of 4-chloro-2-nitrobenzoyl chloride and 5-(4-propyloxyphenyl)tetrazole. The diphenyl-1,3,4-oxadiazole unit is nearly planar. The oxadiazole ring is inclined to the 4-chloro-2-nitrophenyl ring by 7.77 (8)°, and by 7.93 (8)° to the 4-propyloxyphenyl ring. The benzene rings are inclined to one another by 1.32 (7)°. The nitro group is twisted out of the plane of the benzene ring to which it is attached by 73.59 (16)°. The propoxy chain mean plane is inclined to the benzene ring to which it is attached by 4.46 (13)°. In the crystal, C—H...O and C—H...N hydrogen bonds connect the molecules, forming ribbons propagating along theb-axis direction. The ribbons are linked by C—H...π interactions, forming slabs parallel to theabplane.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2016-11-10 | IUCrData |