Abstract
Molecular and crystal structures of 1-amino-3,5-diphenyl-2,4,4,6,6-pentacyano-cyclohex-1-ene (I) and 1-amino-3,5-diphenyl-2,4,4,6-tetracyanocyclohex-1-ene (II) are studied to examine intermolecular interactions. Crystal data for (I): space group P21, a=11.172(3), b=6.561(2), c=16.390(4) Å, β=100.25(2)0, V=1182.1 Å3, Z=2, R=0.046; for (II): space group P1, a=10.756(3), b=10.890(3), c=12.999(3) Å, α=62.20(2), β=70.73(2), γ=65.42(2)0, V=1207.2 Å3, Z=2, R=0.074. Intermolecular bonds via the aminonitrile fragment in (I) lead to formation of chains along they axis: N1…N6′ (1−x, −1/2+y, 1−z) of 3.465(8) Å, N6…N1″ (1−x, 1/2+y, 1−z), and the contact with the solvent (acetone) O1…N1 of 2.984(7) Å. In compound (II), the intermolecular contacts N1…N5′ (−x+1, −y, −z+1) of 3.064(7) Å link the molecules into dimeric associates.
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M. V. Lomonosov Moscow State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 3, pp. 85–90, May–June, 1994.
Translated by L. Smolina
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Taffenko, V.A., Bogdan, T.V. & Aslanov, L.A. Molecular and crystal structure of 1-amino-3,5-diphenyl-2,4,4,6,6-Pentacyano-cyclohex-1-ene and 1-amino-3,5-diphenyl-2,4,4,6-tetracyanocyclohex-1-ene. J Struct Chem 35, 352–357 (1994). https://doi.org/10.1007/BF02578288
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DOI: https://doi.org/10.1007/BF02578288