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A triclinic polymorph of 4-cyano-pyridinium hydrogen chloranilate.

ABSTRACT: THE ASYMMETRIC UNIT OF THE TRICLINIC POLYMORPH OF THE TITLE COMPOUND (SYSTEMATIC NAME: 4-cyano-pyridinium 2,5-dichloro-4-hy-droxy-3,6-dioxocyclo-hexa-1,4-dien-1-olate), C(6)H(5)N(2) (+)·C(6)HCl(2)O(4) (-), 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 inter-actions are observed between the chains.

SUBMITTER: Gotoh K

PROVIDER: S-EPMC3470192 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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A triclinic polymorph of 4-cyano-pyridinium hydrogen chloranilate.

Gotoh Kazuma K Ishida Hiroyuki H

Acta crystallographica. Section E, Structure reports online 20120901 Pt 10

THE ASYMMETRIC UNIT OF THE TRICLINIC POLYMORPH OF THE TITLE COMPOUND (SYSTEMATIC NAME: 4-cyano-pyridinium 2,5-dichloro-4-hy-droxy-3,6-dioxocyclo-hexa-1,4-dien-1-olate), C(6)H(5)N(2) (+)·C(6)HCl(2)O(4) (-), 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 form ...[more]

PMID: 23125636

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