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

Acta Crystallogr E Crystallogr Commun

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

Published: October 2017

The synthesis and crystal structure of a monoclinic (2/) polymorph of the title compound, CHSN, 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 (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 plane. The crystal structure of the triclinic polymorph ( [Formula: see text]) has been described previously [Li (2011 ▸). E, o1669].

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730309PMC
http://dx.doi.org/10.1107/S205698901701341XDOI Listing

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