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Crystal structure of bromido-fac-tricarbon-yl[5-(3,4,5-tri-meth-oxy-phen-yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-?2N2,N3]rhenium(I) methanol monosolvate.

ABSTRACT: In the title compound, [ReBr(C16H16N4O3)(CO)3]·CH3OH, the ReI atom adopts a distorted octa-hedral coordination sphere with a facial arrangement of the three carbonyl ligands. Two N atoms of the chelating 5-(3,4,5-tri-meth-oxy-phen-yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two carbonyl ligands define the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in axial positions. Conventional hydrogen bonds including the methanol solvent mol-ecules assemble the complex mol-ecules through mutual N-H?O-H?Br links [N?O = 2.703?(3)?Å and O?Br = 3.255?(2)?Å] into centrosymmetric dimers, whereas weaker C-H?O and C-H?Br hydrogen bonds [C?O = 3.215?(3)-3.390?(4)?Å and C?Br = 3.927?(3)?Å] connect the dimers into double layers parallel to the (111) plane.

SUBMITTER: Kharlova MI 

PROVIDER: S-EPMC5382604 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of bromido-<i>fac</i>-tricarbon-yl[5-(3,4,5-tri-meth-oxy-phen-yl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole-κ<sup>2</sup><i>N</i><sup>2</sup>,<i>N</i><sup>3</sup>]rhenium(I) methanol monosolvate.

Kharlova Marharyta I MI   Piletska Kseniia O KO   Domasevitch Kostiantyn V KV   Shtemenko Alexander V AV  

Acta crystallographica. Section E, Crystallographic communications 20170310 Pt 4

In the title compound, [ReBr(C<sub>16</sub>H<sub>16</sub>N<sub>4</sub>O<sub>3</sub>)(CO)<sub>3</sub>]·CH<sub>3</sub>OH, the Re<sup>I</sup> atom adopts a distorted octa-hedral coordination sphere with a facial arrangement of the three carbonyl ligands. Two N atoms of the chelating 5-(3,4,5-tri-meth-oxy-phen-yl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole ligand and two carbonyl ligands define the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in axial positio  ...[more]

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