The title compound, C 14 H 12 BrN 2 O + ÁClO 4 À , was synthesized from the parent 2-aminooxazole and acetylacetone and characterized by 1 H NMR and single-crystal X-ray diffraction. The bromophenyl fragment and the essentially planar ninemembered bicyclic system form a dihedral angle of 10.50 (11)
2-(4-Bromophenyl)oxazolo[3,2-a]pyrimidinium perchlorate
✍ Scribed by Rybakov, Victor B. ;Alifanov, Vadim L. ;Babaev, Eugene V.
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 159 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 12 H 8 BrN 2 O + ÁClO 4 À , was synthesized and characterized by 1 H NMR and single-crystal X-ray diffraction. The essentially planar p-bromophenyl fragment and plane of the heterocyclic system form a dihedral angle of 1.79 (7) . Short intermolecular contacts (ca 3.0 A ˚) involving O atoms of a perchlorate anion may indicate the positive charge concentration on the bridgehead N atom of the cation.
📜 SIMILAR VOLUMES
In the title structure, C~21~H~16~BrClN~2~, the pyrazoline ring is approximately coplanar with the __N__-substituted phenyl ring. The dihedral angles formed by the pyrazoline ring with the 4-chlorophenyl and 4-bromophenyl rings are 78.82 and 10.9°, respectively.
Molecules of the title compound, C 30 H 22 Br 2 O 2 , lie across crystallographic inversion centres. The dihedral angle between the phenyl and bromobenzene rings is 23.88 (8) . Weak C-HÁ Á ÁO interactions link the molecules into ribbons along the a axis.