6533b7d1fe1ef96bd125d944

RESEARCH PRODUCT

Crystal structure of the tetraaquabis(thiocyanato-kappa N)cobalt(II)-caffeine-water (1/2/4) co-crystal

Carine DuhayonCarine DuhayonM. El AmaneH. El Hamdani

subject

Hydrogen bondingSingle-crystal X-ray diffraction analysischemistry.chemical_elementThio-Crystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCrystallcsh:ChemistryCaffeineGeneral Materials Science[CHIM.COOR]Chemical Sciences/Coordination chemistrybiologyHydrogen bondCrystal structureGeneral ChemistryCondensed Matter Physicsbiology.organism_classification3. Good health0104 chemical sciencesCrystallographyOxygen atomchemistrylcsh:QD1-999TetraCobalt

description

In the structure of the title compound, [Co(NCS)2(H2O)4]·2C8H10N4O2·4H2O, the cobalt metal lies on an inversion centre and is coordinated in a slightly distorted octa­hedral geometry. In the crystal, the complex mol­ecules inter­act with the caffeine mol­ecules through O—H⋯N, O—H⋯O, C–H⋯S hydrogen bonds and π–π inter­actions.

10.1107/s2056989017008180https://hal.archives-ouvertes.fr/hal-01948254