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3-Bromo-6-nitro-1-(prop-2-yn-yl)-1H-indazole.

ABSTRACT: In the title compound, C(10)H(6)BrN(3)O(2), the indazole fused-ring system is nearly planar (r.m.s. deviation = 0.008 Å); its nitro substituent is nearly coplanar with the fused ring [dihedral angle = 4.5 (2)°]. In the crystal, adjacent mol-ecules are linked by weak acetyl-ene-nitro C-H⋯O hydrogen bonds, generating a helical chain running along the b axis.

SUBMITTER: El Brahmi N

PROVIDER: S-EPMC3238920 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5-Nitro-1,3-bis-(prop-2-yn-yl)-1H-1,3-benzimidazol-2(3H)-one.

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Project description:In the title mol-ecule, C(26)H(16)BrN(3)O(3), the anthracene and benzene mean planes make dihedral angles of 63.79?(2) and 14.67?(2)°, respectively, with the plane of the imidazole ring. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules to form centrosymmetric dimers. Weak ?-? stacking inter-actions, with centroid-centroid distances of 3.779?(2) and 3.826?(2)?Å, supply additional stabilization. The crystal packing also exhibits short inter-molecular contacts between the nitro groups and Br atoms [Br?O = 3.114?(2)?Å].

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