Bis(1H-benzimidazol-1-yl)methane monohydrate

Abstract

In the title compound, C15H12N4·H2O, the organic mol­ecule displays approximate non-crystallographic twofold symmetry: the dihedral angle between the benzimidazole ring systems is 81.37 (12)°. In the crystal, the components are linked by O—H⋯N hydrogen bonds, forming chains propagating in [101]. Aromatic π–π stacking [centroid–centroid separation = 3.595 (2) Å] helps to consolidate the structure.

(1H-Benzimidazol-1-yl)methanol

“…The sum of bond angles around this nitrogen atom was 359.90 (11)°, which is consistent with the planarization of the heterocyclic ring. The distances within the benzimidazole ring of the title compound are very similar to those found in bis(1H-benzimidazol-1-yl)methane monohydrate (Shi et al, 2011). However, the observed N-CH 2 bond length [N1-C8, 1.4638 (17) Å] is longer in relation to the mentioned mean value observed in related structure [N-CH 2 , 1.452 (4) Å] (Shi et al, 2011).…”

“…The distances within the benzimidazole ring of the title compound are very similar to those found in bis(1H-benzimidazol-1-yl)methane monohydrate (Shi et al, 2011). However, the observed N-CH 2 bond length [N1-C8, 1.4638 (17) Å] is longer in relation to the mentioned mean value observed in related structure [N-CH 2 , 1.452 (4) Å] (Shi et al, 2011). Moreover, the CH 2 -O bonds in the residue tend to be shorter than the normal values by 0.033 Å (Allen et al, 1987).…”