2,2′,3,3′,6,6′-Hexachloro-5-nitro-1,1′-biphenyl (5-Nitro PCB 136)
✍ Scribed by Shaikh, Nadim S. ;Parkin, Sean ;Lehmler, Hans-Joachim
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 126 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 12 H 3 Cl 6 NO 2 , has a dihedral angle of 83.92 (8) between the benzene rings. It was obtained as an intermediate in the synthesis of 3-hydroxy PCB 136 by nitration of PCB 136.
📜 SIMILAR VOLUMES
The title compound, C 14 H 10 N 4 O 10 , was obtained by nitration of 6,6 0 -dimethoxy-2,2 0 -dinitro-1,1 0 -biphenyl in the presence of an excess of fuming nitric acid. In the molecule, the dihedral angle between the two benzene rings is 89.9 (2) . In the crystal structure, molecules are connected
The molecule of the title compound, C 7 H 7 N 2 O 6 , has a mirror plane through three common C atoms of two ®ve-membered rings, which show distorted envelope conformations. The nitroxy group is in a planar con®guration.
methylpyrazine and two p-nitrophenol molecules form a centrosymmetric unit. Intermolecular O-HÁ Á ÁN and weak C-HÁ Á ÁO hydrogen bonds are observed in the structure, leading to the formation of a two-dimensional network.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.038 wR factor = 0.105 Data-to-parameter ratio = 11.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.