Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitrobenzoic acid

Abstract

In the title 1:1 cocrystal, C7H4ClNO4·C6H6N2O, nicotinamide (NIC) and 2-chloro-5-nitrobenzoic acid (CNBA) cocrystallize with one molecule each of NIC and CNBA in the asymmetric unit. In this structure, CNBA and NIC form hydrogen bonds through O-H..N, N-H..O and C-H..O interactions along with N-H..O dimer hydrogen bonds of NIC. Further additional weak π-π interactions stabilize the molecular assembly of this cocrystal.