A triclinic polymorph of 4-cyano-pyridinium hydrogen chloranilate

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Abstract

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+·-C 6HCl2O4-, 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.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number10
DOIs
Publication statusPublished - Oct 2012

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Polymorphism
Anions
Cations
Hydrogen
Negative ions
Positive ions
anions
cations
Hydrogen bonds
hydrogen
hydrogen bonds
Dihedral angle
dihedral angle
Crystals
rings
crystals
interactions

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

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title = "A triclinic polymorph of 4-cyano-pyridinium hydrogen chloranilate",
abstract = "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+·-C 6HCl2O4-, 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.",
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T1 - A triclinic polymorph of 4-cyano-pyridinium hydrogen chloranilate

AU - Gotoh, Kazuma

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N2 - 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+·-C 6HCl2O4-, 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.

AB - 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+·-C 6HCl2O4-, 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.

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