title: Crystal structure of 3-methyl-1-phenyl-6-propyl-amino-1H-pyrazolo[3,4-b]pyridine-5-carbo-nitrile.
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 Å) and the attached phenyl group is 2.56 (6)°. The propyl-amino side chain has a contorted conformation [Car-N-C-C = -77.97 (16)° and N-C-C-C = -57.37 (17)°]. An intra-molecular C-H⋯N inter-action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds generate R 2 (2)(12) loops. Aromatic π-π stacking inter-actions [centroid-centroid distance = 3.5726 (8) Å] are also observed.
authors.affiliation: Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
authors.forename: Jerry P
authors.initials: JP
authors.lastname: Jasinski
authors.affiliation: Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
authors.forename: Mehmet
authors.initials: M
authors.lastname: Akkurt
authors.affiliation: Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
authors.forename: Shaaban K
authors.initials: SK
authors.lastname: Mohamed
authors.affiliation: Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Assiut University, 71526 Assiut, Egypt.
authors.forename: Hajjaj H M
authors.initials: HH
authors.lastname: Abdu-Allah
authors.affiliation: Kirkuk University, College of Science, Department of Chemistry, Kirkuk, Iraq.
authors.forename: Mustafa R
authors.initials: MR
authors.lastname: Albayati
keywords: amination; crystal structure; nucleophilic substitution; pyrazolo­[3,4-b]pyridine