A monoclinic polymorph of 1,2-bis-[(1-methyl-1 H-tetra-zol-5-yl)sulfan-yl]ethane (BMTTE)

Saray Argibay-Otero; Olaya Gómez-Paz; Rosa Carballo

doi:10.1107/S205698901701341X

A monoclinic polymorph of 1,2-bis-[(1-methyl-1 H-tetra-zol-5-yl)sulfan-yl]ethane (BMTTE)

Acta Crystallogr E Crystallogr Commun. 2017 Sep 25;73(Pt 10):1523-1525. doi: 10.1107/S205698901701341X. eCollection 2017 Oct 1.

Authors

Saray Argibay-Otero¹, Olaya Gómez-Paz¹, Rosa Carballo¹

Affiliation

¹ Departamento de Química Inorgánica, Facultade de Química, Instituto de Investigación Sanitaria Galicia Sur - Universidade de Vigo, Campus Universitario, E-36310 Vigo, Galicia, Spain.

Abstract

The synthesis and crystal structure of a monoclinic (P2₁/c) polymorph of the title compound, C₆H₁₀S₂N₈, are reported. The mol-ecule has pseudo-twofold rotational symmetry, with the tetra-zole rings being inclined to one another by 5.50 (6)°. In the crystal, mol-ecules are linked by C-H⋯N hydrogen bonds, forming chains propagating along [101] and enclosing R₂²(20) ring motifs. The chains are linked by offset π-π inter-actions involving the tetra-zole rings [inter-centroid distances vary from 3.3567 (7) to 3.4227 (7) Å], forming layers parallel to the ac plane. The crystal structure of the triclinic polymorph (P [Formula: see text]) has been described previously [Li et al. (2011 ▸). Acta Cryst. E67, o1669].

Keywords: crystal structure; hydrogen bonding; polymorph; tetrazole-containing compounds; π–π interactions.

Grants and funding

This work was funded by Ministry of Economy, Industry and Competitiveness grant . European Regional Development Fund grants CTQ2015-71211-REDT and CTQ2015-7091-R.