J. Owen, M. Truter
1979
Citations
1
Influential Citations
21
Citations
Journal
Journal of The Chemical Society-dalton Transactions
Abstract
The crystal structure of the complex formed between two ion pairs of sodium isothiocyanate and one molecule of dibenzo-30-crown-10 has been determined from X-ray diffraction measurements. In a monoclinic unit cell, having a= 25.167(8), b= 8.921(3), c= 17.293(6)A, β= 17.88(2)°, and space group C2/c, there are four neutral discrete molecules of complex and four of water of crystallisation. Full-matrix anisotropic refinement on 2 504 observed reflections was complete at R= 0.045. Each ligand complexes with two sodium cations, and each cation is also co-ordinated to one isothiocyanate anion through the nitrogen atom (Na–N 2.363 A). The two halves of the complex are related by a crystallographic two-fold rotation axis which passes through two oxygen atoms, O(11) and O(28), of the ligand. These atoms bridge the cations (Na–O 2.531 and 2.585 A respectively) which are 3.94 A apart. The nitrogen atom and bridging atom O(28) form the apices of an approximately pentagonal-bipyramidal arrangement round the sodium ion (Na–O, unshared: 2.413, 2.493, 2.398, and 2.453 A).