Three new cocrystals
of bis(diphenylphosphino)ethane (dppe) and p-diiodotetrafluorobenzene
(p-F4DIB) were studied using single-crystal
X-ray crystallography. Two
polymorphs containing a 1:1 dppe:p-F4DIB
ratio were obtained, each displaying strong P···I halogen
bonding along steplike chains. Additionally, a cocrystal with a 1:3
dppe:p-F4DIB ratio was studied. This cocrystal
displays a similar main steplike chain to the 1:1 cocrystals, with
pendant p-F4DIB molecules along the chain.
In all three of the cocrystals, face-to-face and face-to-edge interactions
involving both the phenyl rings and the perfluorobenzene rings contribute
to the packing of the halogen bonded chains. Computational studies,
including Hirshfeld surface analysis and ab initio calculations, were
conducted to further elucidate the varying factors contributing to
the packing of the cocrystals and the resulting structural stability.
The title complex, [ZnCl2(C11H10N2)], crystallizes in the P21/c space group with di-2-pyridylmethane acting as a bidentate ligand coordinating the zinc atom in a distorted tetrahedral geometry. The asymmetric unit consists of a single molecule of the title complex. The title complex folds with an angle of 53.82 (5)° between the planes of the two pyridine rings. The crystal packing is stabilized by hydrogen bonds and π–π interactions involving both pyridine rings.
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