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

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 ?-? 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].

SUBMITTER: Argibay-Otero S 

PROVIDER: S-EPMC5730309 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature

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

Argibay-Otero Saray S   Gómez-Paz Olaya O   Carballo Rosa R  

Acta crystallographica. Section E, Crystallographic communications 20170925 Pt 10

The synthesis and crystal structure of a monoclinic (<i>P</i>2<sub>1</sub>/<i>c</i>) polymorph of the title compound, C<sub>6</sub>H<sub>10</sub>S<sub>2</sub>N<sub>8</sub>, 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 <i>R</i><sub>2</sub><sup>2</sup>(20) ring motifs. The chains are linked b  ...[more]

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