Crystal structure of bis-[(R, R)-1,2-(bi-naph-thyl-phospho-nito)ethane]-dichlorido-iron(II) di-chloro-methane disolvate

Acta Crystallogr E Crystallogr Commun. 2020 Aug 28;76(Pt 9):1525-1527. doi: 10.1107/S2056989020011160. eCollection 2020 Sep 1.

Abstract

In the title compound (systematic name: bis-{1,2-bis[12,14-dioxa-13-phospha-penta-cyclo-[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-deca-en-13-yl]ethane}-dichlorido-iron(II) di-chloro-methane disolvate), [FeCl2(C42H28O4P2)2]·2CH2Cl2, the FeII ion lies on a crystallographic twofold rotation axis and is coordinated by four P atoms from two (R,R)-1,2-bis-(bi-naphthyl-phospho-n-ito)ethane (BPE) ligands and two Cl ligands in a distorted cis-FeCl2P4 octa-hedral coordination geometry. In the crystal, weak C-H⋯O and C-H⋯π inter-actions link the mol-ecules into layers lying parallel to (001). A weak intra-molecular C-H⋯O hydrogen bond is also observed. The asymmetric unit contains one CH2Cl2 solvent mol-ecule, which is disordered over two sets of site with refined occupancies in the ratio 0.700 (6):0.300 (6).

Keywords: BINAP; BINOL; asymmetric catalysis; crystal structure.

Grants and funding

This work was funded by Natural Sciences and Engineering Research Council of Canada grant Discovery to Robert H. Morris.