CYCLIZATION OF NITRILES: LIX.
1665
compound Va triclinic, a 7.448(1), b 11.757(3), c
6. Litvinov, V.P., Usp. Khimii, 1999, vol. 68, no. 9,
pp. 817 836.
11.953(1)
,
116.18(2), 105.52(1), 96.25(2) ,
3
V 873.3(4) 3, M 328.49, Z 2, dcalc 1.25 g cm ,
7. Goncharenko, M.P., Sharanin, Yu.A., Shestopa-
lov, A.M., Litvinov, V.P., and Turov, A.V., Zh. Org.
Khim., 1990, vol. 26, no. 7, pp. 1578 1588.
8. Freeman, F., Farqunar, D.R., and Walker, R.L.,
J. Org. Chem., 1968, vol. 33, pp. 3648 3653.
9. Vieweg, H., Hanfeld, V., Liestner, S., and Wagner, G.,
Pharmazie, 1989, vol. 44, no. 9, pp. 639 640.
10. Freeman, F. and Ito, T.I., J. Org. Chem., 1969,
vol. 34, pp. 3670 3672.
11. Sharanin, Yu.A., Shestopalov, A.M., Promonen-
kov, V.K., and Rodinovskaya, L.A., Zh. Org. Khim.,
1984, vol. 20, no. 11, pp. 2442 2448.
12. Sharanin, Yu.A., Shestopalov, A.M., Promonen-
kov, V.K., and Rodinovskaya, L. A., Zh. Org. Khim.,
1984, vol. 20, no. 11, pp. 2432 2441.
1
26.8 cm , F(000) 350, space group P 1 (N2). The
structure was solved by the direct method and refined
by the least-squares procedure in the full-matrix
anisotropic approximation with the use of software
package CRYSTALS [18]. In refining 2695 reflec-
tions were use with I > 3(I) (199 parameters refined,
number of reflections per parameter 13.5). All hydro-
gen atoms were revealed from the difference synthesis
of electron density and included in calculations with
fixed position and thermal parameters. We used in
refining the weight scheme of Chebyshev [19] with
four parameters: 0.65, 0.11, 0.20, and 0.34. The
final values of divergence factors are R 0.066 and
RW 0.063, GOF 1.040. The residual electron density
from the difference Fourier series amounts to 0.57
and 0.52 3. Coordinates of nonhydrogen atoms are
given in Table 1. The complete set of data on the
X-ray analysis of compound Va was deposited into
the Cambridge Structural Databank (no. 171738).
13. Vereshchagin, A.N., Usp. Khim., 1983, vol. 52,
no. 11, pp. 1879 1902.
14. Zefirov, N.C. and Palyulin, V.A., Dokl. Akad. Nauk
SSSR, 1980, vol. 252, no. 1, pp. 111 115.
15. Naumov, V.A. and Kataeva, O.N., Molekulyarnoe
stroenie organicheskikh soedinenii kisloroda i sery v
gazovoi faze (Molecular Structure of Oxygen and
Sulfur Organic Compounds in Gas Phase), Moscow:
Nauka, 1990, p. 192.
16. Allen, F.H., Kennard, O., Watson, D.G., Bram-
mer, L., Orpen, A.G., and Tailor, R., J. Chem. Soc.,
Perkin Trans. II, 1987, no. 12, pp. 1 19.
17. North, A.C.T., Phillips, D.C., Scott, F., and
Mathews, F.S., Acta Cryst. (A), 1968, vol. 24, no. 2,
P. 351 359.
18. Watkin, D.J., Prout, C.K., Carruthers, J.R., and
Betteridge, P.W., CRYSTALS, N 10, Chemical
Crystallography Laboratory, Univ. of Oxford. 1996,
pp. 1 210.
19. Carruthers, J.R. and Watkin, D.J., Acta Cryst. (A),
1979, vol. 35, no. 3, pp. 698 699.
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RUSSIAN JOURNAL OF ORGANIC CHEMISTRY Vol. 38 No. 11 2002