Crystal and molecular structure of 1-phenyl-1H-tetrazole-5-thiolato-trimethyltin(IV), Me3SnSCN4Ph, exhibiting unusual trimeric associations through intermolecular N → Sn bonds.

Structural studies of tetrazoles. Crystal and molecular structure and ab initio calculations of 1-phenyl-1H-tetrazole-5-thiolate, as its [diaqua(18-crown-6)sodium] salt: An anionic tetrazole free of direct metal interactions

“…This observation should be mainly ascribed, keeping in mind the difference in aggregation states, to the strong bonding of the potassium ion to the N 4 -C 5 -S moiety of the heterocycle [K-N 4 2.934(4), K-C 5 3.469(4), K-S 3.373(2) Å ]. Table 6 provides a comparison of the present ring bond lengths with those found in metal complexes of 1-phenyl-1H-tetrazole-5-thiolate, namely, tin(IV) derivatives [22][23][24][25], which exhibit primary Sn-S bonds as well as some Sn-N interactions in the 2.617-3.285(12) Å range (cf. Sn,N ͚r cov ‫ס‬ 2.15; ͚r vdW ‫ס‬ 3.75 Å ).…”

S,N‐Chelated organotin(IV) compounds containing 6‐phenylpyridazine‐3‐thiolate ligand—structural, antibacterial and antifungal study

“…The strength of this intramolecular interaction in 3 is within the range of N → Sn donor-acceptor interactions found in previously published organotin(IV) species bearing various S,N-chelating ligand(s). [6,7,37] The heavy distortion of the octahedral vicinity of the central tin atom is demonstrated by the wileyonlinelibrary.com/journal/aoc (7), Cl1-Sn1-S1 89.60(4), S1-Sn1-N1 63.89(7), S1-Sn1-C11 113.59(9), S1-Sn1-C17 121.41(7), C11-Sn1-C17 120.40(11), Sn1-S1-C1 85.79(12), Sn1-N1-C1 96.6(2), S1-C1-N1 113.4(2). C21-Sn1-C25 interatomic angle value being only 131.0(2)…”

“…The Sn1-Cl1 interatomic distance [2.4162(10) Å] is about 0.08 Å shorter in comparison to previously reported Sn-Cl distances in C,N-chelated organotin(IV) chlorides where the tin atom is five-coordinated too. [35] The N1-Sn1-Cl1 interatomic angle [153.29 (7) • ] differs roughly from the ideal angle (180 • ) owing to the sterical hindrance of the two phenyl substituents as well as the presence of the strained four-membered tin-containing ring.…”

“…[6] The vicinity of the tin atom in five-coordinated compounds usually reveals a distorted trigonal bipyramidal geometry. [6] Compounds having six-coordinated tin atom have been described as both monocapped trigonal bipyramidal [7] and heavily distorted octahedral structures. [6] The five-membered chelate rings seem to be much more stable than four-membered chelate rings, which usually do not persist in solution.…”

Crystallographic report: 6‐Mercaptopurinate complex of tribenzyltin(IV), (PhCH2)3Sn(C5H3N4S)Sn(PhCH2)3OMe

“…1 For example, the structures of these compounds range from discrete 2 to trimeric 3 to polymeric. 4 In the title compound ( Fig.…”