Abstract
The title molecule, C17H16N4, is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C3 chain, and the molecule is placed on a general position, in contrast to the analogous compound with a central C2 ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title molecule, indazole rings make a dihedral angle of 60.11 (7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped molecule. In the crystal, molecules interact weakly through π–π contacts between inversion-related pyrazole rings, with a centroid–centroid separation of 3.746 (2) Å.
Highlights
The title molecule, C17H16N4, is a bis-indazole crystallized in the rare 2H-tautomeric form
Indazole heterocycles are connected by a propane C3 chain, and the molecule is placed on a general position, in contrast to the analogous compound with a central C2 ethane bridge, which was previously found to be placed on an inversion center in the same space group
It is worth noting that the analogue compound with a central C2 bridge, for which we reported the X-ray structure (Rodríguez de Barbarín et al, 2006), was found to crystallize in the same space group, the molecule was placed on an inversion center
Summary
Saúl Ovalle,a Sylvain Bernès,b Nancy Pérez Rodrıgueza and Perla Elizondo Martıneza*. The title molecule, C17H16N4, is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C3 chain, and the molecule is placed on a general position, in contrast to the analogous compound with a central C2 ethane bridge, which was previously found to be placed on an inversion center in the same space group. Indazole rings make a dihedral angle of. 60.11 (7) , and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped molecule. Molecules interact weakly through – contacts between inversion-related pyrazole rings, with a centroid–centroid separation of 3.746 (2) Å
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