Author/Authors :
Bairagi, Keshab M. Department of Chemistry - isvesvaraya National Institute of Technology, India , Pal, Priyanka Department of Chemistry - isvesvaraya National Institute of Technology, India , Bhandary, Subhrajyoti Department of Chemistry - Indian Institute of Science Education and Research Bhopal, India , Venugopala, Katharigatta N. Department of Pharmaceutical Sciences - College of Clinical Pharmacy - King Faisal University, Kingdom of Saudi Arabia , Chopra, Deepak Department of Chemistry - isvesvaraya National Institute of Technology, India , Nayak, Susanta K. Department of Chemistry - isvesvaraya National Institute of Technology, India
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
