1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate

Abstract

The title compound, C(23)H(26)N(4)O·5H(2)O, has noncrystallographic twofold rotation symmetry in the solid state. It crystallizes with five solvent water mol-ecules in the asymmetric unit. Four of these water mol-ecules are connected with each other via hydrogen-bonding inter-actions to form two types of centrosymmetric hexa-meric (H(2)O)(6) rings. Via edge sharing of the hexa-mers, the water clusters thus build infinite chains that stretch parallel to the a axis. The fifth water mol-ecule provides an additional connection between the two hexa-meric (H(2)O)(6) units via hydrogen bonds to both rings. The water mol-ecules in the channels along the a axis are also bonded via O-H⋯N hydrogen bonds to the organic units, and face-to-face π-π inter-actions [with centroid-to-centroid distances of 3.656 (1) Å and average face-to-face distances of 3.431 (5) Å] between the aromatic rings of adjacent mol-ecules complete the inter-molecular inter-actions in this structure.

Fig. 1.

View of the structure of the title compound. Displacement ellipsoids are drawn at the 30% probability level.

Fig. 2.

The water filled channels along the a axis. Hydrogen bonds are represented by dashed lines.

Fig. 3.

The π-π interactions in the structure of the title compound. H atoms have been omitted for clarity. Symmetry codes: (i) 1 - x, -y, 2 - z.

Fig. 4.

The synthesis of the title compound as described in the experimental section.