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Crystal structure of a Zn complex with tereph-thalate and 1,6-bis-(1,2,4-triazol-1-yl)hexa-ne.

ABSTRACT: A new zinc coordination polymer with rigid benzene-1,4-di-carboxyl-ate (bdc) and flexible 1,6-bis-(1,2,4-triazol-1-yl)hexane (btrh), namely poly[[(?2-benzene-1,4-di-carboxyl-ato)[?2-1,6-bis-(1,2,4-triazol-1-yl)hexa-ne]zinc] di-methyl-form-amide monosolvate], [Zn(C8H4O4)(C10H16N6)]·C3H7NO, was synthesized. According to the single-crystal XRD analysis, the product crystallizes in the P-1 space group and has a layered structure. Analysis of the layered structure reveals {Zn(bdc)} chains which are connected by pairs of btrh ligands. The layers are packed tightly perpendicular to the [1-22] direction, separated by one non-disordered di-methyl-formamide solvent mol-ecule per formula unit. According to thermogravimetric analysis, the product completely loses this solvent at 453?K; the desolvated compound is stable up to 503?K. As a result of the lack of hydrogen-donor groups, hydrogen bonds are not observed in the structure of the complex; however, an inter-molecular C-H?? contact of 3.07?Å occurs.

SUBMITTER: Sukhikh TS 

PROVIDER: S-EPMC5778475 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature

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Crystal structure of a Zn complex with tereph-thalate and 1,6-bis-(1,2,4-triazol-1-yl)hexa-ne.

Sukhikh Taisiya S TS   Semitut Evgeny Yu EY   Potapov Andrei S AS  

Acta crystallographica. Section E, Crystallographic communications 20180101 Pt 1

A new zinc coordination polymer with rigid benzene-1,4-di-carboxyl-ate (bdc) and flexible 1,6-bis-(1,2,4-triazol-1-yl)hexane (btrh), namely poly[[(μ<sub>2</sub>-benzene-1,4-di-carboxyl-ato)[μ<sub>2</sub>-1,6-bis-(1,2,4-triazol-1-yl)hexa-ne]zinc] di-methyl-form-amide monosolvate], [Zn(C<sub>8</sub>H<sub>4</sub>O<sub>4</sub>)(C<sub>10</sub>H<sub>16</sub>N<sub>6</sub>)]·C<sub>3</sub>H<sub>7</sub>NO, was synthesized. According to the single-crystal XRD analysis, the product crystallizes in the <i>P<  ...[more]

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