Crystal structure of 3-methyl-1-phenyl-6-propylamino-1H-pyrazolo[3,4-b]-pyridine-5-carbonitrile

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Jasinski J. P., AKKURT M., Mohamed S. K., Abdu-Allah H. H. M., Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.71, 2015 (ESCI, Scopus)

• Publication Type: Article / Article
• Volume: 71
• Publication Date: 2015
• Doi Number: 10.1107/s2056989015017004
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Open Archive Collection: AVESIS Open Access Collection
• Erciyes University Affiliated: Yes

Abstract

In the title compound, C17H17N5, the dihedral angle between the 1H-pyrazolo[3,4-b]pyridine ring system (r.m.s. deviation = 0.001 angstrom) and the attached phenyl group is 2.56 (6)degrees. The propylamino side chain has a contorted conformation [C-ar-N-C-C = -77.97 (16)degrees and N-C-C-C = -57.37 (17)degrees]. An intramolecular C-H center dot center dot center dot N interaction closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H center dot center dot center dot N hydrogen bonds generate R-2(2) loops. Aromatic pi-pi stacking interactions [centroid-centroid distance = 3.5726 (8) angstrom] are also observed.