A monoclinic polymorph of 1,2-bis[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethane (BMTTE)

Abstract

The synthesis and crystal structure of a monoclinic (P21/c) polymorph of the title compound, C6H10S2N8, are reported. The molecule has pseudo-twofold rotational symmetry, with the tetrazole rings being inclined to one another by 5.50 (6)°. In the crystal, molecules are linked by C—H...N hydrogen bonds, forming chains propagating along [101] and enclosingR22(20) ring motifs. The chains are linked by offset π–π interactions involving the tetrazole rings [intercentroid distances vary from 3.3567 (7) to 3.4227 (7) Å], forming layers parallel to theacplane. The crystal structure of the triclinic polymorph (P\overline{1}) has been described previously [Liet al.(2011).Acta Cryst.E67, o1669].

From Cu(i) and Cu(i)–Cu(ii) mixed-valence clusters to 2D Cu(ii) and Cu(i) coordination polymers supported by a flexible bis-tetrazole organosulfur ligand

“…The ligand 1,2-bis(1-methyl-1 H -tetrazole-5-ylthio)ethane (bmtte) was prepared as described previously. 22…”

“…The ligand 1,2-bis(1-methyl-1H-tetrazole-5ylthio)ethane (bmtte) was prepared as described previously. 22 Synthesis of the compounds 2 1 Cu 2 Br 4 (bmtte), (1m) and (1t) Method A: microwave irradiation. A solution of bmtte (0.228 g, 0.9 mmol) in acetonitrile (10 mL) was added to a green solution of CuBr 2 (0.787 g, 3.6 mmol) in acetonitrile (10 mL).…”

“…4). 22,23 In the cluster, the Cu2⋯Cu2 distance of 2.638 Å indicates attractive Cu⋯Cu interactions, but the Cu1⋯Cu2 distance of 2.855 Å suggests the absence of coppercopper interactions. 24 In both cases, the distances are around 0.1 Å shorter than those observed in the analogous chloride compound.…”

Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands

“…Reactions with BMTTE were conditioned by its low solubility in all of the solvents tested and, as a consequence, a copper complex could not be isolated by diffusion due to the rapid crystallization of BMTTE [16,17]. Copper(II) compound 3 was obtained as an orange crystalline powder upon stirring at room temperature using a 1:1 molar ratio, and as orange single crystals by reaction under microwave irradiation using a 4:1 metal/ligand molar ratio.…”

“…Solvents and reagents were obtained commercially and were used as supplied. BMTTM [30] and BMTTE [16,17] ligands were synthesized by ourselves. Elemental organic analysis (C, H, N) was carried out on a Carlo Erba 1108/Chromatographic combustion elemental analyzer.…”