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

ABSTRACT: 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 ?-? contacts between inversion-related pyrazole rings, with a centroid-centroid separation of 3.746?(2)?Å.

SUBMITTER: Ovalle S

PROVIDER: S-EPMC3213583 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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

Ovalle Saúl S Bernès Sylvain S Pérez Rodríguez Nancy N Elizondo Martínez Perla P

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

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 confo ...[more]

PMID: 22091160

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