trans-Bis{2-[3-(cyclohexylamino)propyliminomethyl]phenolato-κ²N,O}bis(thiocyanato-κN)iron(II)

Abstract

Key indicators: single-crystal X-ray study; T = 293 K; mean (C-C) = 0.010 Å; R factor = 0.062; wR factor = 0.198; data-to-parameter ratio = 14.5.The title complex, [Fe(NCS) 2 (C 32 H 46 N 4 O 2 ) 2 ], is a mononuclear iron(II) complex with a distorted octahedral coordination geometry and the central Fe 2+ ion, located on an inversion centre, is coordinated by four N atoms and two O atoms from two Schiff-base ligands and two thiocyanate anions. The Schiff base was obtained by condensation of equimolar amounts of salicylaldehyde and N-cyclohexyl-1,3diaminopropane in acetonitrile. The crystal structure involves intermolecular N-HÁ Á ÁO and N-HÁ Á ÁS hydrogen bonds. ExperimentalCrystal data [Fe(NCS) 2 (C 32 H 46 N 4 O 2 ) 2 ] M r = 692.75 Monoclinic, P2 1 =c a = 10.912 (7) Å b = 7.797 (5) Å c = 20.778 (13) Å = 96.899 (13) V = 1755.1 (19) Å 3 Z = 2 Mo K radiation = 0.59 mm À1 T = 293 (2) K 0.30 Â 0.20 Â 0.15 mm Data collection Bruker APEX area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.843, T max = 0.917 7131 measured reflections 2975 independent reflections 1337 reflections with I > 2(I) R int = 0.101

9-Triptycenecarboxylate-bridged diiron(II) complexes: Capture of the paddlewheel geometric isomer

“…When thiocyanate was added to the dinuclear complex 1 in a 2:1 ratio, however, the structure converted to mononuclear 14 with two isothiocyanate ligands per iron atom. Although many structures have two thiocyanates coordinated to Fe(II) [45,46], no compound with the carboxylate-coordination environment of 14 has been previously described.…”