[4-(2-Aminoethyl)morpholine-κ2N,N′]dibromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis

Autor: B. Chidambaranathan, S. Sivaraj, P. Vijayamathubalan, S. Abraham Rajasekar, S. Selvakumar
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 3, Pp 271-276 (2024)
Druh dokumentu: article
ISSN: 2056-9890
20569890
DOI: 10.1107/S2056989024000963
Popis: The title compound, [CdBr2(C6H14N2O)], was synthesized upon complexation of 4-(2-aminoethyl)morpholine and cadmium(II) bromide tetrahydrate at 303 K. It crystallizes as a centrosymmetric dimer, with one cadmium atom, two bromine atoms and one N,N′-bidentate 4-(2-aminoethyl)morpholine ligand in the asymmetric unit. The metal atom is six-coordinated and has a distorted octahedral geometry. In the crystal, O...Cd interactions link the dimers into a polymeric double chain and intermolecular C—H...O hydrogen bonds form R22(6) ring motifs. Further C—H...Br and N—H...Br hydrogen bonds link the components into a three-dimensional network. As the N—H...Br hydrogen bonds are shorter than the C—H...Br interactions, they have a larger effect on the packing. A Hirshfeld surface analysis reveals that the largest contributions to the packing are from H...H (46.1%) and Br...H/H...Br (38.9%) interactions with smaller contributions from the O...H/H...O (4.7%), Br...Cd/Cd...Br (4.4%), O...Cd/Cd...O (3.5%), Br...Br (1.1%), Cd...H/H...Cd (0.9%), Br...O/O...Br (0.3%) and O...N/N...O (0.1%) contacts.
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