6,7-Di-hydro-5 H-pyrrolo-[1,2- a]imidazole

Abstract

The crystal structure of 6,7-di-hydro-5H-pyrrolo-[1,2-a]imidazole, C₆H₈N₂, at 100 K has monoclinic (P2₁/n) symmetry. The mol-ecule adopts an envelope conformation of the pyrrolidine ring, which might help for the relief torsion tension. The crystal cohesion is achieved by C-H⋯N hydrogen bonds. Inter-estingly, this fused ring system provides protection of the α-C atom (attached to the non-bridging N atom of the imidazole ring), which provides stability that is of inter-est with respect to electrochemical properties as electrolytes for fuel cells and batteries, and electrodeposition.

Keywords: crystal structure; imidazole derivative; ring puckering analysis.

Figure 1

Schematic representation of imidazole (I) with atom numbering and of the title derivative (II).

Figure 2

The mol­ecular structure of (II) showing the atom-labeling scheme. Displacement ellipsoids are scaled to the 50% probability level.

Figure 3

Packing diagram for (II) projected along the b axis (A), and the inter­molecular arrangement and distance of (II) found in the crystal structure (B) (a shows the centroid-to-centroid distance, b the centroid-to-atom distance). Hydrogen atoms were omitted for clarity.