9-Ethynyl-9H-carbazole.

ABSTRACT: The title compound, C(14)H(9)N, is the second crystallographically characterized example of an ynamine with an H atom in the C-terminal position. There are two independent mol-ecules (A and B) in the asymmetric unit. The structures of both mol-ecules are essentially planar (r.m.s. deviation = 0.0312 and 0.0152?Å). The N-C(sp) bond lengths are 1.353?(4) and 1.350?(4)?Å, and those of the acetyl-ene bonds are 1.189?(4) and 1.190?(4)?Å. The C(sp)-H bond lengths are 0.95?(5) and 0.97?(4)?Å. These geometries are consistent with those of the previously reported ynamine characterized by crystallography. In the crystal, the mol-ecules stack along the c axis, forming two kinds of columnar structures. The acetyl-ene C atoms of mol-ecule A have a short contact [3.341?(4)?Å and 3.396?(4)?Å] with an adjacent mol-ecule A at the C-C bond of the fused part, which originates in ?-? stacking inter-action; no remarkable spatial contact is recognized within the stacking of mol-ecule B.

SUBMITTER: Tabata H 

PROVIDER: S-EPMC3297888 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other