The crystal structure of zwitterionic 2-{[(4-iminiumyl- 3-methyl-1,4-dihydropyridin-1-yl)methyl]- carbamoyl}benzoate hemihydrate

• Main Authors: C. S., Chidan Kumar, Ai, Jia Sim, Weng, Zhun Ng, Tze, Shyang Chia, Loh, Wan Sin, Huey, Chong Kwong, Ching, Kheng Quah, S., Naveen, N. K., Lokanath, Warad, Ismail
• Format: Article
• Language: English
• Published: International Union of Crystallography 2017
• Subjects: QC1-999 Physics; QD1-999 Chemistry
• Online Access: http://eprints.usm.my/37249/1/%28The_crystal_structure%29_sj5531.pdf; http://eprints.usm.my/37249/; https://doi.org/10.1107/S2056989017007836

The asymmetric unit of the title compound, C15H15N3O3�0.5H2O, comprises two 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate zwitterions (A and B) and a water molecule. The dihedral angles between the pyridine and phenyl rings in the zwitterions are 53.69 (10) and 73.56...