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

Acta Crystallographica Section E: Crystallographic Communications

Argibay-Otero, S.²  Gó³  Carballo, R.⁴  mez-Paz, O.⁶ 

[1] Universidade de Vigo, Campus Universitario, E-36310 Vigo, Galicia, Spain;Departamento de Química Inorgámica, Instituto de Investigación Sanitaria Galicia Sur –nica, Facultade de Quí

关键词: CRYSTAL STRUCTURE;    POLYMORPH;    TETRAZOLE-CONTAINING COMPOUNDS;    HYDROGEN BONDING;    [PI]-[PI] INTERACTIONS;   

DOI  :  10.1107/S205698901701341X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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 enclosing R22(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 the ac plane. The crystal structure of the triclinic polymorph (P\overline{1}) has been described previously [Li et al. (2011). Acta Cryst. E67, o1669].

【 授权许可】

CC BY