Search results for "O—H⋯N hydrogen bonds"

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Crystal structure of 2-{[1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yloxy]carbonyl}benzoic acid

2014

In the title compound, C15H15N3O6, the dihedral angle between the planes of the benzene and imidazole rings is 34.93 (10)°. An intramolecular C—H...O hydrogen bond is observed. In the crystal, O—H...N hydrogen bonds link the molecules into chains parallel to thecaxis.

crystal structureCrystal structurepharmaceuticalsDihedral angleBioinformaticsMedicinal chemistrynitro­imidazolesCrystalchemistry.chemical_compoundImidazoleGeneral Materials SciencePhysics::Chemical PhysicsO—H⋯N hydrogen bondsBenzeneBenzoic acidQuantitative Biology::BiomoleculesnitroimidazolesCrystallographyHydrogen bondGeneral ChemistryCondensed Matter PhysicsData ReportsO—H...N hydrogen bondschemistryQD901-999NitroActa Crystallographica Section E Structure Reports Online
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Crystal structure of N,N,N′,N′,N′′,N′′-hexamethylguanidinium cyanate 1.5-hydrate

2015

The title hydrated salt, C7H18N3+·OCN−.1.5H2O, was synthesized starting fromN,N,N′,N′,N′′,N′′-hexamethylguanidinium chloride by a twofold anion-exchange reaction. The asymmetric unit contains two cations, two cyanate anions and three water molecules. One cation shows orientational disorder and two sets of N-atom positions were found related by a 60° rotation, with an occupancy ratio of 0.852 (6):0.148 (6). The C—N bond lengths in both guanidinium ions range from 1.329 (2) to 1.358 (10) Å, indicating double-bond character, pointing towards charge delocalization within the NCN planes. Strong O—H...N hydrogen bonds between the crystal water molecules and the cyanate ions and strong O—H...O hyd…

crystal structureInorganic chemistryCrystal structureIonCrystalchemistry.chemical_compoundsaltGeneral Materials ScienceO—H⋯N hydrogen bondsCrystallographyHydrogen bondhexamethylguanidiniumO—H⋯O hydrogen bondsGeneral ChemistryCondensed Matter PhysicsCyanateHEXAData ReportsO—H...N hydrogen bondsBond lengthCrystallographychemistryQD901-999hexa­methyl­guanidiniumcyanateHydrateO—H...O hydrogen bondsActa Crystallographica Section E: Crystallographic Communications
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