2,2'-(Propane-1,3-di-yl)bis-(2H-indazole)

• Published in: Acta crystallographica. Section E, Structure reports online Vol. 67; no. Pt 8; p. o2144
• Main Authors: Ovalle, Saúl, Bernès, Sylvain, Pérez Rodríguez, Nancy, Elizondo Martínez, Perla
• Format: Journal Article
• Language: English
• Published: United States International Union of Crystallography 01-08-2011
• Subjects: Organic Papers
• ISSN: 1600-5368; 1600-5368
• DOI: 10.1107/S1600536811029011

The title mol-ecule, C(17)H(16)N(4), is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C(3) chain, and the mol-ecule is placed on a general position, in contrast to the analogous compound with a central C(2) ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title mol-ecule, indazole rings make a dihedral angle of 60.11 (7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped mol-ecule. In the crystal, mol-ecules inter-act weakly through π-π contacts between inversion-related pyrazole rings, with a centroid-centroid separation of 3.746 (2) Å.