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3-Iodo-1H-pyrazolo-[3,4-b]pyridine.

ABSTRACT: The title compound, C6H4IN3, is essentially planar, with a dihedral angle of 0.82?(3)° between the planes of the pyridine and pyrazole rings. In the crystal, pairs of mol-ecules are connected into inversion dimers through N-H?N hydrogen bonds. C-I?N halogen bonds link the dimers into zigzag chains parallel to the b-axis direction. The packing also features ?-? stacking inter-actions along (110) with inter-planar distances of 3.292?(1) and 3.343?(1)?Å, and centroid-centroid distances of 3.308?(1) and 3.430?(1)?Å.

SUBMITTER: Huang PH

PROVIDER: S-EPMC4051060 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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3-Iodo-1H-pyrazolo-[3,4-b]pyridine.

Huang Ping-Hsin PH Wen Yuh-Sheng YS Shen Jiun-Yi JY

Acta crystallographica. Section E, Structure reports online 20140510 Pt 6

The title compound, C6H4IN3, is essentially planar, with a dihedral angle of 0.82 (3)° between the planes of the pyridine and pyrazole rings. In the crystal, pairs of mol-ecules are connected into inversion dimers through N-H⋯N hydrogen bonds. C-I⋯N halogen bonds link the dimers into zigzag chains parallel to the b-axis direction. The packing also features π-π stacking inter-actions along (110) with inter-planar distances of 3.292 (1) and 3.343 (1) Å, and centroid-centroid distances of 3.308 (1) ...[more]

PMID: 24940235

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