Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 5 (May 2007)

organic compounds

fa3082 scheme

Acta Cryst. (2007). C63, o287-o291 [ doi:10.1107/S0108270107013649 ]

Supramolecular aggregation in three 4-aryl-6-(1H-indol-3-yl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitriles

J. N. Low, J. Cobo, A. Sánchez, J. Trilleras and C. Glidewell

Abstract: Both 6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile and 6-(1H-indol-3-yl)-3-methyl-4-(4-methoxyphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile crystallize from dimethylformamide solutions as stoichiometric 1:1 solvates, viz. C₂₉H₂₁N₅·C₃H₇NO, (I), and C₂₉H₂₁N₅O·C₃H₇NO, (II), respectively; however, 6-(1H-indol-3-yl)-3-methyl-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile, C₃₁H₂₅N₅O₃, (III), crystallizes in the unsolvated form. The heterocyclic components of (I) are linked by C-H [pi] (arene) hydrogen bonds to form cyclic centrosymmetric dimers, from which the solvent molecules are pendent, linked by N-HO hydrogen bonds. In (II), the heterocyclic components are linked by a combination of C-HN and C-H [pi] (arene) hydrogen bonds into chains containing two types of centrosymmetric ring, and the pendent solvent molecules are linked to these chains by N-HO hydrogen bonds. Molecules of (III) are linked into simple C(12) chains by an N-HO hydrogen bond, and these chains are weakly linked into pairs by an aromatic [pi] - [pi] stacking interaction.

Formula: C₂₉H₂₁N₅·C₃H₇NO, C₂₉H₂₁N₅O·C₃H₇NO and C₃₁H₂₅N₅O₃


	Structure factor file (CIF format) (293.5 kbytes) [ doi:10.1107/S0108270107013649/fa3082Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (296.5 kbytes) [ doi:10.1107/S0108270107013649/fa3082IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (285.1 kbytes) [ doi:10.1107/S0108270107013649/fa3082IIIsup4.hkl ] Contains datablock III

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