title: 7-Carboxylato-8-hydroxy-2-methylquinolinium monohydrate and 7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate at 100 K.
abstract: Both 7-carboxylato-8-hydroxy-2-methylquinolinium monohydrate, C11H9NO3.H2O, (I), and 7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate, C11H10NO3+.Cl-.H2O, (II), crystallize in the centrosymmetric P-1 space group. Both compounds display an intramolecular O-H...O hydrogen bond involving the hydroxy group; this hydrogen bond is stronger in (I) due to its zwitterionic character [O...O = 2.4449 (11) A in (I) and 2.5881 (12) A in (II)]. In both crystal structures, the HN+ group participates in the stabilization of the structure via intermolecular hydrogen bonds with water molecules [N...O = 2.7450 (12) A in (I) and 2.8025 (14) A in (II)]. In compound (II), a hydrogen-bond network connects the Cl- anion to the carboxylic acid group [Cl...O = 2.9641 (11) A] and to two water molecules [Cl...O = 3.1485 (10) and 3.2744 (10) A].
authors.affiliation: Laboratoire Structures, Propriétés et Modélisation des Solides, UMR CNRS 8580, Ecole Centrale Paris, Grande Voie des Vignes, 92295 Châtenay-Malabry, France.
authors.forename: Delphine
authors.initials: D
authors.lastname: Firley
authors.forename: Bernard
authors.initials: B
authors.lastname: Fraisse
authors.forename: Fatima
authors.initials: F
authors.lastname: Zouhiri
authors.forename: Anne
authors.initials: A
authors.lastname: Spasojević-de Biré
authors.forename: Didier
authors.initials: D
authors.lastname: Desmaële
authors.forename: Jean
authors.initials: J
authors.lastname: d'Angelo
authors.forename: Nour Eddine
authors.initials: NE
authors.lastname: Ghermani
mesh_terms: D002264:Carboxylic Acids / Q000737:chemistry; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D011806:Quinolinium Compounds / Q000737:chemistry*; D014867:Water / Q000737:chemistry
chemical_list: D002264:Carboxylic Acids; D011806:Quinolinium Compounds; D014867:Water