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2,2′-Di­amino-4,4′-bi-1,3-thia­zolium dichloride

✍ Scribed by Liu, Jia-Geng ;Xu, Duan-Jun ;Xu, Yuan-Zhi ;Wu, Jing-Yun ;Chiang, Michael Y.


Publisher
International Union of Crystallography
Year
2002
Tongue
English
Weight
166 KB
Volume
58
Category
Article
ISSN
1600-5368

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✦ Synopsis


Á2Cl À , includes a trans, planar bithiazole moiety occupying a special position on a crystallographic inversion centre. Both symmetry-independent N atoms participate in hydrogen-bonded links with the chloride anion [NÁ Á ÁCl 3.094 (5), 3.222 (5) and 3.362 (5) A Ê ]. A short contact of 3.3201 (18) A Ê is also observed between the S atom of the thiazolium cation and the chloride anion.

Experimental

DABT was prepared according to the literature procedure of Erlenmeyer (1948). The title compound was obtained from an aqueous solution as a by-product in the course of the synthesis of an Ni II complex with DABT, using NiCl 2 as a starting reagent.


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Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.002 A Ê R factor = 0.024 wR factor = 0.059 Data-to-parameter ratio = 16.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.