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Crystal structures of [(?2-L1)di-bromidodicopper(II)] dibromide and poly[[(?2-L1)diiodido-dicopper(I)]-di-?-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane.


ABSTRACT: The reaction of the hexa-thia-pyrazino-phane ligand, 2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane (L1), with copper(II) dibromide led to the formation of a binuclear complex, [?2-2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane]bis-[bromi-docopper(II)] dibromide, [Cu2Br2(C16H24N2S6)]Br2, (I). The complex possesses inversion symmetry with the pyrazine ring being situated about a center of symmetry. The ligand coordinates to the copper(II) atom in a bis-tetra-dentate manner and the copper atom has a fivefold NS3Br coordination environment with a distorted shape. The reaction of ligand L1 with copper(I) iodide also gave a binuclear complex, which is bridged by a Cu2I2 unit to form a two-dimensional coordination polymer, poly[[?2-2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane]tetra-?-iodido-tetra-copper(I)], [Cu4I4(C16H24N2S6)] n , (II). The binuclear unit possesses inversion symmetry with the pyrazine ring being located about a center of symmetry. The Cu2I2 unit is also located about an inversion center. The two independent copper(I) atoms are both fourfold coordinate. That coordinating to the ligand L1 in a bis-tridentate manner has an NS2I coordination environment and an irregular shape, while the second copper(I) atom, where L1 coordinates in a bis-monodentate manner, has an SI3 coordination environment with an almost perfect tetra-hedral geometry. In the crystal of I, the cations and Br- anions are linked by a number of C-H?S and C-H?Br hydrogen bonds, forming a supra-molecular network. In the crystal of II, the two-dimensional coordination polymers lie parallel to the ab plane and there are no significant inter-layer contacts present.

SUBMITTER: Assoumatine T 

PROVIDER: S-EPMC7336783 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature

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Crystal structures of [(μ<sub>2</sub>-L1)di-bromidodicopper(II)] dibromide and poly[[(μ<sub>2</sub>-L1)diiodido-dicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane.

Assoumatine Tokouré T   Stoeckli-Evans Helen H  

Acta crystallographica. Section E, Crystallographic communications 20200602 Pt 7


The reaction of the hexa-thia-pyrazino-phane ligand, 2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane (<b>L1</b>), with copper(II) dibromide led to the formation of a binuclear complex, [μ<sub>2</sub>-2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane]bis-[bromi-docopper(II)] dibromide, [Cu<sub>2</sub>Br<sub>2</sub>(C<sub>16</sub>H<sub>24</sub>N<sub>2</sub>S<sub>6</sub>)]Br<sub>2</sub>, (<b>I</b>). The complex possesses inversion symmetry with the pyrazine ring being situated about a c  ...[more]

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