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5,6-Dimethyl-4-(thio-phen-2-yl)-1H-pyrazolo-[3,4-b]pyridin-3-amine.

ABSTRACT: In the title mol-ecule, C(12)H(12)N(4)S, the thio-phene ring is disordered over two orientations with a refined site-occupancy ratio of 0.777?(4):0.223?(4). The pyrazolo-pyridine ring system is essentially planar with an r.m.s. deviation of 0.0069?(3)?Å and makes dihedral angles of 82.8?(2) and 72.6?(5)°, respectively, with the major and minor components of the thio-phene ring. In the crystal, mol-ecules are linked into a chain along the a axis by a pair of N-H?N(pyrazole) hydrogen bonds and a pair of N-H?N(pyridine) hydrogen bonds, both having a centrosymmetric R(2) (2)(8) graph-set motif. A C-H?? inter-action is also present.

SUBMITTER: Abdel-Aziz HA

PROVIDER: S-EPMC3295413 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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5,6-Dimethyl-4-(thio-phen-2-yl)-1H-pyrazolo-[3,4-b]pyridin-3-amine.

Abdel-Aziz Hatem A HA Al-Rashood Khalid A KA Ghabbour Hazem A HA Chantrapromma Suchada S Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20120204 Pt 3

In the title mol-ecule, C(12)H(12)N(4)S, the thio-phene ring is disordered over two orientations with a refined site-occupancy ratio of 0.777 (4):0.223 (4). The pyrazolo-pyridine ring system is essentially planar with an r.m.s. deviation of 0.0069 (3) Å and makes dihedral angles of 82.8 (2) and 72.6 (5)°, respectively, with the major and minor components of the thio-phene ring. In the crystal, mol-ecules are linked into a chain along the a axis by a pair of N-H⋯N(pyrazole) hydrogen bonds and a p ...[more]

PMID: 22412524

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Crystal structure of [4-(2-meth-oxy-phen-yl)-3-methyl-1-phenyl-6-tri-fluoro-methyl-1H-pyrazolo-[3,4-b]pyridin-5-yl](thio-phen-2-yl)methanone.

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