STRUCTURAL INVESTIGATIONS OF PHTHALO- AND NAPHTHALOCYANINE PRECURSORS AND THEIR CYCLOMERIZATION PRODUCTS. By Jan Janczak and Ryszard Kubiak, Institute of Low Temperature and Structure Research, Polish Academy of Sciences, 50-950 Wroclaw, P.O.Box 937, Poland.

Recently we determined the structures of 1,2-dicyanobenzene (I) (Acta Cryst C51 (1995) 2039) and 2,3-dicyanonaphthalene (II). (II) crystallizes in P1, a=3.878(1), b=9.491(2), c=12.597(3) Å, [[alpha]]=93.85(3), [[beta]]=96.20(3), [[gamma]]=93.07(3)deg.. We used I, II to synthesis of phthalocyanines or naphthalocyanines and triazine derivatives. Scheme shows the products for substrate I:

Several papers on products I(1) and I(2) were published by us (Acta Chem.Scand. 49 (1995) 871). I(3) crystallizes in two forms: P2₁/c, a=4.001(1), b=23.852(5), c=19.574(4)Å, [[beta]]=94.61(3)deg. and P1, a=11.276(3), b=12.833(3), c=12.915(3)Å, [[alpha]]=99.90(3), [[beta]]=112.31(3) and [[gamma]]=115.53(3)deg.. I(4) crystallizes in P-1 a=7.332(1), b=7.704(2), c=9.476(2)A, [[alpha]]=101.42(3), [[beta]]=103.39(3) and [[gamma]]=91.44(3)deg..

An analogical products scheme is assumed for substrate II. Till now we did not obtained II(1), II(2) and II(3) in crystalline form. II(4) crystallizes in C2/c, a=35.757(7), b=7.320(2), c=21.452(4)A, [[beta]]=119.98(3)deg.. Details of these structures will be presented. This work was supported by a grant (No. 2 P303 117 06) from the Polish State Committee for Scientific Research.