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Crystal Structure of bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-κ(2) N (2),N (3)]bis-(thio-cyanato-κS)copper(II)

Crystal Structure of bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-κ(2) N (2),N (3)]bis-(thio-cyanato-κS)copper(II)

Abdelhakim Laachir, Fouad Bentiss, Salaheddine Guesmi, Mohamed Saadi, Lahcen El Ammari

Acta Crystallogr E Crystallogr Commun. 2016 Jul 22;72(Pt 8):1176-8.

PMID: 27536407

Abstract:

The mononuclear title complex, [Cu(SCN)2(C12H8N4S)2], was obtained by the reaction of 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole and potassium thio-cyanate with copper(II) chloride dihydrate. The copper cation lies on an inversion centre and displays an elongated octa-hedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole ligands, whereas the axial positions are occupied by the S atoms of two thio-cyanate anions. The thia-diazole and the pyridyl rings linked to the metal are approximately coplanar, with a maximum deviation from the mean plane of 0.190 (2) Å. The cohesion of the crystal structure is ensured by weak C-H⋯N hydrogen bonds and π-π inter-actions between parallel pyridyl rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.663 (2) Å], leading to a three-dimensional network.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP10125130	Copper(II) chloride dihydrate		10125-13-0	Price

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