A triclinic polymorph of 4-cyanopyridinium hydrogen chloranilate

The asymmetric unit of the triclinic polymorph of the title compound (systematic name: 4-cyanopyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate), C6H5N2+·C6HCl2O4−, consists of two crystallographically independent cation–anion units, in ea...

Full description

Bibliographic Details
Main Authors: Kazuma Gotoh, Hiroyuki Ishida
Format: Article
Language:English
Published: International Union of Crystallography 2012-10-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812037221
Description
Summary:The asymmetric unit of the triclinic polymorph of the title compound (systematic name: 4-cyanopyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate), C6H5N2+·C6HCl2O4−, consists of two crystallographically independent cation–anion units, in each of which the cation and the anion are linked by an N—H...O hydrogen bond. In the units, the dihedral angles between the cation and anion rings are 78.43 (11) and 80.71 (11)°. In the crystal, each unit independently forms a chain through N—H...O and O—H...N hydrogen bonds; one chain runs along the c axis while the other runs along [011]. Weak C—H...O, C—H...N and C—H...Cl interactions are observed between the chains.
ISSN:1600-5368