Crystal structure and Hirshfeld surface analysis of 4-[4-(1H-benzo[d] imidazol-2-yl)phenoxy]phthalo-nitrile monohydrate

Abstract

In the title compound, C21H12N4O center dot H2O, the five-membered ring is essentially planar with a maximum deviation of 0.004 (2) angstrom. An N-H center dot center dot center dot O hydrogen bond connects the organic and water molecules. In the crystal, O-H center dot center dot center dot N hydrogen bonds link molecules into a two-dimensional network parallel to (100). Hirshfeld surface analyses and two-dimensional fingerprint plots were used to quantify the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H center dot center dot center dot H (28.7%), C center dot center dot center dot H/H center dot center dot center dot C (27.1%), N center dot center dot center dot H/H center dot center dot center dot N (26.4%), C center dot center dot center dot N/N center dot center dot center dot C (6.1%), O center dot center dot center dot H/H center dot center dot center dot O (3.7%) and C center dot center dot center dot C (6.0%) interactions.