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

  • Chidan Kumar C
  • Sim A
  • Ng W
  • et al.
N/ACitations
Citations of this article
5Readers
Mendeley users who have this article in their library.

Abstract

The asymmetric unit of the title compound, C 15 H 15 N 3 O 3 ·0.5H 2 O, 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 (11)° in A and B , respectively. In the crystal, molecules are linked by N—H...O, O—H...O, C—H...O and C—H...π(ring) hydrogen bonds into a three-dimensional network. The crystal structure also features π–π interactions involving the centroids of the pyridine and phenyl rings [centroid–centroid distances = 3.5618 (12) Å in A and 3.8182 (14) Å in B ].

Cite

CITATION STYLE

APA

Chidan Kumar, C. S., Sim, A. J., Ng, W. Z., Chia, T. S., Loh, W.-S., Kwong, H. C., … Warad, I. (2017). The crystal structure of zwitterionic 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate. Acta Crystallographica Section E Crystallographic Communications, 73(7), 927–931. https://doi.org/10.1107/s2056989017007836

Register to see more suggestions

Mendeley helps you to discover research relevant for your work.

Already have an account?

Save time finding and organizing research with Mendeley

Sign up for free