Synthesis, Structures, and Physical Properties of Thiocyanate Coordination Compounds with 3‐Hydroxymethylpyridine

Abstract

Abstract. The reaction of Cd(NCS) 2 with 3-hydroxymethylpyridine (3-HMPy) leads to the formation of compounds with the composition Cd(NCS) 2 (3-HMPy) 4 (1-Cd),Cd(NCS) 2 (3-HMPy) 2 (2-Cd)(Cd(NCS) 2 ) 2 -(3-HMPy) 3 (3-Cd), and (Cd(NCS) 2 ) 3 (3-HMPy) 4 (4-Cd). Compound 1-Cd consists of discrete complexes and in 2-Cd the Cd cations are linked into chains by the anionic and the organic co-ligands. In 3-Cd as well as 4-Cd the Cd cations are connected into chains by the thiocyanate anions, which are further linked into layers by the 3-HMPy coligands. In contrast, with Zn only one compound with the composition Zn(NCS) 2 (3-HMPy) 2 ·H 2 O (1-Zn-H 2 O) was characterized by single-

Chalcogen S∙∙∙S Bonding in Supramolecular Assemblies of Cadmium(II) Coordination Polymers with Pyridine-Based Ligands

“…, 3-(3-pyridyl)acrylate[16], 3-acetylpyridine[17], 3-aminomethylpyridine[18], 3-hydroxymethylpyridine[19] and 3-aminopyridine[20]. The Cd−N and Cd−S (thiocyanate N and S atoms), Cd−N (pyridine N) and Cd−O bond lengths in 1 and 2 are comparable to those seen in the related cadmium(II) coordination polymers containing thiocyanate ions and mentioned bridging or terminal pyridine-based ligands[11,[14][15][16][17][18][19][20].…”

“…There are many cadmium(II) coordination polymers structurally similar to 1 and 2, containing bridging thiocyanate ions and either bridging [14][15][16][17][18][19] or terminal [17,19,20] pyridine-based ligands, substituted at position -3, in the Cambridge Structural Database. We focused solely on the structures containing bridging or terminal pyridine-based ligands with simple substituents, excluding the ring substituents, e.g., N,N-diethylnicotinamide [14], pyridine-3-carboxylate [15], 3-(3-pyridyl)acrylate [16], 3-acetylpyridine [17], 3aminomethylpyridine [18], 3-hydroxymethylpyridine [19] and 3-aminopyridine [20]. The Cd−N and Cd−S (thiocyanate N and S atoms), Cd−N (pyridine N) and Cd−O bond lengths in 1 and 2 are comparable to those seen in the related cadmium(II) coordination polymers containing thiocyanate ions and mentioned bridging or terminal pyridine-based ligands [11,[14][15][16][17][18][19][20].…”

“…We focused solely on the structures containing bridging or terminal pyridine-based ligands with simple substituents, excluding the ring substituents, e.g., N,N-diethylnicotinamide [14], pyridine-3-carboxylate [15], 3-(3-pyridyl)acrylate [16], 3-acetylpyridine [17], 3aminomethylpyridine [18], 3-hydroxymethylpyridine [19] and 3-aminopyridine [20]. The Cd−N and Cd−S (thiocyanate N and S atoms), Cd−N (pyridine N) and Cd−O bond lengths in 1 and 2 are comparable to those seen in the related cadmium(II) coordination polymers containing thiocyanate ions and mentioned bridging or terminal pyridine-based ligands [11,[14][15][16][17][18][19][20]. 4).…”

“…The most distinguished hydrogen-bonded ring motifs within the framework of 2 are the dimeric R 2 3(9) and the centrosymmetric tetrameric R 4 4( 14) motifs (Figure 5). The R 2 3 (9) motif is formed between two symmetry-related coordination networks (represented as There are many cadmium(II) coordination polymers structurally similar to 1 and 2, containing bridging thiocyanate ions and either bridging [14][15][16][17][18][19] or terminal [17,19,20] pyridine-based ligands, substituted at position -3, in the Cambridge Structural Database. We focused solely on the structures containing bridging or terminal pyridine-based ligands with simple substituents, excluding the ring substituents, e.g., N,N-diethylnicotinamide [14], pyridine-3-carboxylate [15] 4).…”

“…, 3-(3-pyridyl)acrylate[16], 3-acetylpyridine[17], 3-aminomethylpyridine[18], 3-hydroxymethylpyridine[19] and 3-aminopyridine[20]. The Cd−N and Cd−S (thiocyanate N and S atoms), Cd−N (pyridine N) and Cd−O bond lengths in 1 and 2 are comparable to those seen in the related cadmium(II) coordination polymers containing thiocyanate ions and mentioned bridging or terminal pyridine-based ligands[11,[14][15][16][17][18][19][20]. The crystal structure of 1 features strong intermolecular N-H•••S and weak intramolecular C-H•••O hydrogen bonds, while there are strong intermolecular N-H•••S and N-H•••N and weak C-H•••N hydrogen bonds in the crystal structure of 2 (Table 2).…”