DOI

The weak intermolecular noncovalent interactions in the solvate cis-[PtCl2(C2H5CN)(2)]center dot CHCl3 were studied by XRD and DFT methods. Special attention was paid to a chloroform molecule as a potential donor of both hydrogen and halogen bonds. On the one hand, the H atom of chloroform links two Cl atoms of cis-[PtCl2(C2H5CN)(2)] (H-chloroform -Cl-complex (2.660 angstrom, 2.811 angstrom)), and on the other side, the weak Cl-chloroform -Cl-complex (3.247 and 3.497 angstrom) interactions were found. According to DFT calculation, only the H-chloroform -Cl-complex (2.660 and 2.811 angstrom) and Cl-chloroform -Cl-complex (3.247 angstrom) interactions can be classified as weak noncovalent bonds, whereas the contacts Cl-chloroform -C-nitrile (3.391 angstrom) and -Cl-chloroform -Cl-complex (3.497 angstrom) are due to the crystal packing effect.
Язык оригиналаанглийский
Число страниц6
ЖурналZeitschrift fur Kristallographie - Crystalline Materials
Том231
Номер выпуска7
DOI
СостояниеОпубликовано - 2016

ID: 7949910