Hydrogen bonding and C-H⋯X interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate

Allison J. Amonette, Roger E. Gerkin

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

The title substance, C10H8NO+2·Cl -·H2O, crystallized in the centrosymmetric space group P1 in two phases, α and β, each with one organic cation, one Cl- ion and one water molecule in the asymmetric unit. The principal structural difference in the two asymmetric units lies in the relative orientation of the water molecule. Three hydrogen bonds in the α phase have donor-acceptor distances (N⋯Cl or O⋯Cl) ranging from 3.052 (1) to 3.189 (2) Å, while one has an O⋯O distance of 2.603 (3) Å. Three hydrogen bonds in the β phase have donor-acceptor distances (N⋯Cl or O⋯Cl) ranging from 3.044 (2) to 3.206 (2) Å, while two have O⋯O distances of 2.586 (2) and 3.147 (3) Å. The H atoms in all these hydrogen bonds are ordered. Each of these phases has five leading C-H⋯X interactions, for which the H⋯X distances are less than, or at most slightly greater than, the corresponding van der Waals radius sums. Taken together, these hydrogen bonds and C-H⋯X interactions form a three-dimensional network of interactions in each phase. The dihedral angle between the best-fit quinoline core plane and the carboxyl group plane is 25.9 (1)° for the α phase and 20.0 (1)° for the β phase.

Original languageEnglish
Pages (from-to)1499-1503
Number of pages5
JournalActa Crystallographica Section C: Crystal Structure Communications
Volume55
Issue number9
DOIs
StatePublished - Sep 15 1999

Scopus Subject Areas

  • General Biochemistry, Genetics and Molecular Biology

Fingerprint

Dive into the research topics of 'Hydrogen bonding and C-H⋯X interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate'. Together they form a unique fingerprint.

Cite this