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PM3 semiempirical study and its comparison with X-ray crystal structure of 4-[2-Methyl-4-(4-methoxyphenylazo)] phenoxyphtalonitrile

✍ Scribed by Nazan Ocak İskeleli; Hasan Karabıyık; Çiğdem Albayrak; Hande Petek; Erbil Ağar


Publisher
Springer
Year
2006
Tongue
English
Weight
538 KB
Volume
36
Category
Article
ISSN
1572-8854

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The structure of 2,4,4,6,6-pentachloro-2-(piperidyl)cyclotri(phosphazene) (1) was determined by singlecrystal X-ray diffraction analysis. Compound 1 crystallizes in the orthorhombic space group P bea with Z ‫ס‬ 8 and unit cell dimensions a ‫ס‬ 8.316(2), b ‫ס‬ 17.261(3), and c ‫ס‬ 22.007(4) A ˚. The