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A monoclinic polymorph of 1,2-bis[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethane (BMTTE)
The synthesis and crystal structure of a monoclinic (P2(1)/c) polymorph of the title compound, C(6)H(10)S(2)N(8), 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 h...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730309/ https://www.ncbi.nlm.nih.gov/pubmed/29250372 http://dx.doi.org/10.1107/S205698901701341X |
Sumario: | The synthesis and crystal structure of a monoclinic (P2(1)/c) polymorph of the title compound, C(6)H(10)S(2)N(8), 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 R (2) (2)(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 [Image: see text]) has been described previously [Li et al. (2011 ▸). Acta Cryst. E67, o1669]. |
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