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

Autor: Saray Argibay-Otero, Olaya Gómez-Paz, Rosa Carballo
Jazyk: angličtina
Rok vydání: 2017
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 10, Pp 1523-1525 (2017)
Druh dokumentu: article
ISSN: 2056-9890
20569890
DOI: 10.1107/S205698901701341X
Popis: 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].
Databáze: Directory of Open Access Journals