Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)

Abstract

The title 1:1 co-crystal, C11H14O3·C6H6N2O [systematic name: butyl 4-hydroxybenzoate–isonicotinamide (1/1)], crystallizes with one molecule of butylparaben (BPN) and one molecule of isonicotinamide (ISN) in the asymmetric unit. In the crystal, BPN and ISN molecules form hydrogen-bonded (O—H...N and N—H...O) dimers of paired BPN and ISN molecules. These dimers are further connected to each other via N—H...O=C hydrogen bonds, creating ribbons in [011] which further stack along the a axis to form a layered structure with short C...C contacts of 3.285 (3) Å. Packing interactions within the crystal structure were assessed using PIXEL calculations.

Keywords

• crystal structure
• butylparaben
• isonicotinamide
• co-crystal
• hydrogen bonding