Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 12 (December 2008)

organic compounds

sk3277 scheme

Acta Cryst. (2008). C64, o671-o674 [ doi:10.1107/S0108270108038808 ]

Hydrogen-bonded chains of rings in 3-tert-butyl-1-phenyl-7-(4-trifluoromethylbenzyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-dione and 3-tert-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-dione

J. Trilleras, S. Cruz, J. Cobo, J. N. Low and C. Glidewell

Abstract: In each of 3-tert-butyl-1-phenyl-7-(4-trifluoromethylbenzyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-dione, C₂₉H₃₀F₃N₃O₂, (I), and 3-tert-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-dione, C₂₉H₃₃N₃O₃, (II), the reduced pyridine ring adopts a half-chair conformation. The molecules of compound (I) are linked by two C-HO hydrogen bonds to form a C(5)C(5)[R¹₂(8)] chain of rings, while in compound (II), two C-HO hydrogen bonds link the molecules into a C(6)C(7)[R²₂(11)] chain of rings, which is further reinforced by a C-H [pi] hydrogen bond. The significance of this study lies in its observation of significant differences in hydrogen-bonded structures consequent upon very minor changes in remote substituents.

Formula: C₂₉H₃₀F₃N₃O₂ and C₂₉H₃₃N₃O₃


	Structure factor file (CIF format) (275.2 kbytes) [ doi:10.1107/S0108270108038808/sk3277Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (272.5 kbytes) [ doi:10.1107/S0108270108038808/sk3277IIsup3.hkl ] Contains datablock II

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