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.

Keywords

• crystal structure
• cocrystal
• hirshfeld surface
• 2-chloro-5-nitrobenzoic acid
• nicotinamide