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Crystal and Molecular Structures of (Dibenzo-18-Crown-6)(Nitrato-O,O")-Tetrahydrofuranpotassium, [K(DB18C6)(THF)(NO3)]

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Abstract

The (dibenzo-18-crown-6)(nitrato-O,O")tetrahydrofuranpotassium complex [K(DB18C6)(THF)(NO3)] (I) was synthesized and studied using X-ray diffraction analysis. The crystals are orthorhombic: a= 9.608 Å, b= 9.926 Å, c= 27.234 Å, Z= 4, space group P212121. The structure was solved by the direct method and refined by the least-squares method in the anisotropic approximation to R= 0.099 over all 2620 measured independent reflections (CAD4 automated diffractometer, λMoK αradiation). Complex Iin the crystal exists as individual host–guest molecules, the K+cation (CN 9) being located in the DB18C6 macrocycle cavity and being coordinated to its six oxygen atoms and to two oxygen atoms of the nitrato ligand on one side of the macrocycle and to the THF oxygen atoms on the other side. The DB18C6 molecule in Ihas a butterfly conformation with approximate C 2V symmetry.

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  1. Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432, Russia

    A. N. Chekhlov

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  1. A. N. Chekhlov
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Chekhlov, A.N. Crystal and Molecular Structures of (Dibenzo-18-Crown-6)(Nitrato-O,O")-Tetrahydrofuranpotassium, [K(DB18C6)(THF)(NO3)]. Russian Journal of Coordination Chemistry 27, 771–775 (2001). https://doi.org/10.1023/A:1012558820726

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