Crystal Structure and Hirshfeld Surface Analysis of 4-[4-(1H-Benzo[d]Imidazol-2-yl)Phen-oxy]Phthalo-nitrile Monohydrate

Abstract

In the title compound, C<inf>21</inf>H<inf>12</inf>N<inf>4</inf>O·H<inf>2</inf>O, the five-membered ring is essentially planar with a maximum deviation of 0.004 (2) Å. An N - H⋯O hydrogen bond connects the organic and water molecules. In the crystal, O - H⋯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⋯H (28.7%), C⋯H/H⋯C (27.1%), N⋯H/H⋯N (26.4%), C⋯N/N⋯C (6.1%), O⋯H/H⋯O (3.7%) and C⋯C (6.0%) interactions. © Sen et al. 2018.