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Inicio » Actividades I+D > Publicaciones 2012 > Isoquinolin-5-amine
artículo con referato
A.M. Atria, M.T. Garland and R. Baggio
Acta Cryst. C 68(10) (2012) o392-o394
The title compound, C9H8N2, presents two almost identical independent molecules in the asymmetric unit, both of them exhibiting an extremely planar isoquinoline core (maximum r.m.s. deviation = 0.014 Å). The most significant deviation is found in the -NH2 groups, which present a noticeable pyramidalization around the N atom, a feature also present in related structures containing the molecule as a ligand. The supramolecular structure is based on pairs of parallel hydrogen-bonded chains formed by just one molecular type each, defined by the strongest hydrogen bonds in the structure, which are of the N–HN type. These parallel chains are linked into pairs (or strips) via weaker C–HN hydrogen bonds. Related strips generated by the c-glide plane define two families running along [\overline{1}10] and [110], giving rise to an interesting system of interwoven chains stabilized by a number of weaker contacts of the C–Hπ type.
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