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Journal Article

5-[(E)-(5-Bromo-2-hy­dr­oxy­benzyl­­idene)amino]-1,3,4-thia­diazole-2(3H)-thione.

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Kia,  R.
Research Group of Structural Dynamics of (Bio)Chemical Systems, MPI for Biophysical Chemistry, Max Planck Society;

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Fulltext (public)

2368702.pdf
(Publisher version), 321KB

Supplementary Material (public)

2368702_Suppl_1.cif
(Supplementary material), 16KB

2368702_Suppl_2.hkl
(Supplementary material), 135KB

2368702_Suppl_3.cml
(Supplementary material), 4KB

Citation

Kargar, H., Kia, R., & Tahir, M. N. (2011). 5-[(E)-(5-Bromo-2-hy­dr­oxy­benzyl­­idene)amino]-1,3,4-thia­diazole-2(3H)-thione. Acta Crystallographica Section E, 67(12): o3436. doi:10.1107/S1600536811049920.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002C-1747-F
Abstract
In the title mol­ecule, C9H6BrN3OS2, the dihedral angle between the benzene ring and the five-membered ring is 5.5 (3)°. An intra­molecular O—H⋯N hydrogen bond forms an S(6) ring motif. In the crystal, N—H⋯S hydrogen bonds link mol­ecules into centrosymmetric dimers creating R22(8) ring motifs. In addition, there are inter­molecular S⋯S [3.430 (2) Å] contacts. The crystal used was a non-merohedral twin with a ratio of 0.113 (3):0.887 (3) for the components.