Engineering 2D → 2D parallel interpenetration using long alkoxy-chain substituents

Question

1. What have the authors contributed in "Engineering 2d→2d parallel interpenetration using long alkoxy-chain substituents" ?

2. What is the common method of synthesis of tpy ligands?

3. What is the common method of forming a 3-dimensional structure?

4. how many reflections were converged at final R1?

Accepted Answer

In this paper, the structural consequences of reducing the length of the alkoxy substituents on going from the ditopic ligand 1,4-bis ( n-octoxy ) -2,5-bis ( 4,2':6',4 '' -terpyridin-4'yl ) benzene ( 1 ) to 1, 4-bis-methoxy-2, 5-bis- ( n ) -bis ( 4, 2':6, 4 '' -tpy ) -benzenes with zinc ( II ) halides are described.

Accepted Answer

4'-Substituents which can facilitate the assembly of 3-dimensional architectures are easily introduced during the synthesis of 4,2':6',4''-tpy using Kröhnke [20] or one-pot [21] strategies.

Accepted Answer

Simpler 4,2':6',4''-tpy tectons typically bind metal ions only through the outer pyridine rings of the tpy domain (Scheme 1, left) to produce, most commonly, 1- dimensional chains.

Accepted Answer

Refinement of 5173 reflections (267 parameters) with The author>2σ (I) converged at final R1 = 0.0683 (R1all data = 0.0733), wR2 = 0.1811 (wR2 all data = 0.1843), gof = 0.9589.

Accepted Answer

Crystallization by layering using a MeOH solution of ZnBr2 and CHCl3 solution of 1 leads to [{Zn2Br4(1)}]n; ligand 1 acts as a planar 4-connecting node which consists of (4,4)-nets each with a corrugated topology.

Accepted Answer

Refinement of 4994 reflections (307 parameters) with The author>2σ (I) converged at final R1 = 0.0530 (R1all data = 0.0560), wR2 = 0.1358 (wR2 all data = 0.1390), gof = 0.9466.2.9 [{Zn2I4(2)}.2.3C6H4Cl2]n After SQUEEZE: C52H37.50Cl4.50I4N6O2Zn2, M = 1576.32, yellow block, monoclinic, space group P21/n, a = 11.997(2), b = 19.440(3), c = 13.828(2) Å, β = 112.664(7)o, U = 2976.0(5) Å3, Z = 2, Dc = 1.76 Mg m–3, µ(Cu-Kα) = 19.476 mm−1, T = 123 K. Total 20800 reflections, 5181 unique, Rint = 0.045.

Accepted Answer

Refinement of 3765 reflections (198 parameters) with The author>2σ (I) converged at final R1 = 0.0607 (R1 alldata = 0.0808), wR2 = 0.0646 (wR2 all data = 0.0845), gof = 0.9359.2.8 [{Zn2Br4(2)}.2C6H4Cl2]n After SQUEEZE: C50H36Br4Cl4N6O2Zn2, M = 1492.06, colourless block, monoclinic, space group P21/n, a = 12.0911(16), b = 18.972(3), c = 13.5812(18) Å, β = 111.805(5)o, U = 2892.5(4) Å3, Z = 2, Dc = 1.71 Mg m–3, µ(Cu-Kα) = 7.186 mm−1, T = 123 K. Total 21568 reflections, 5069 unique, Rint = 0.030.

Accepted Answer

a systematic study of reactions of Zn(OAc)2 with 4'-(4-ROC6H4)-4,2':6',4''-tpy ligands demonstrates that increasing the length of the alkoxy chains switches the assembly from 1D-coordination polymers to discrete molecular complexes [19].

Accepted Answer

A solution of 1 (19.9 mg, 0.025 mmol) in CHCl3 (6.0 mL) was prepared in a test tube, and MeOH (3.0 mL) was layered on top, followed by a solution of ZnBr2 (11.3 mg, 0.05 mmol) in MeOH (5.0 mL).

Accepted Answer

The open nature of the netresults in 2D→2D parallel interpenetration, with extended octoxy chains runningthrough the middle of the sheets.

Accepted Answer

The recent growth in the coordination chemistry of 4,2':6',4''-terpyridine (4,2':6',4''- tpy) ligands has encompassed molecular tectons with and without coordinatively non-innocent domains in the 4'-position (Scheme 1) [1–19].

Accepted Answer

Found C 50.35, H 4.83, N 6.87; C52H56Br4N6O2Zn2 requires C 50.07, H 4.53, N 6.74%.2.4 [{Zn2Br4(2)}.2C6H4Cl2]n A solution of 2 (15 mg, 0.025 mmol) in C6H4Cl2/MeOH (6.0/2.0 mL) was placed in a test tube, and a mixture of C6H4Cl2 (1.5 mL) and MeOH (1.5 mL) was layered on top, followed by a solution of ZnBr2 (11.3 mg, 0.05 mmol) in MeOH (5.0 mL).

Accepted Answer

In [{Zn2Br4(2)}.2C6H4Cl2]n, the angles between the least squares planes of pairs of bonded pyridine rings are 6.2 and 17.3o, compared to 4.7 and 19.4o in [{Zn2I4(2)}.2.3C6H4Cl2]n.

Accepted Answer

The coordination polymer [{Zn2Br4(1)}]n crystallizes in the monoclinic space group C2/c with unit cell parameters that are close to those observed for [{Zn2Cl4(1)}. 4H2O]n [33] (Table 1).

Engineering 2D → 2D parallel interpenetration using long alkoxy-chain substituents

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Most frequently asked questions

1. What have the authors contributed in "Engineering 2d→2d parallel interpenetration using long alkoxy-chain substituents" ?

2. What is the common method of synthesis of tpy ligands?

3. What is the common method of forming a 3-dimensional structure?

4. how many reflections were converged at final R1?

5. What is the structure of the corrugated sheets?

6. how many reflections were converged at R1?

7. How many reflections were found in the sample?

8. How do the authors design a multitopic tpy ligand?

9. How many ml of ZnBr2 was layered on top of CHC?

10. What is the nature of the netresults in 2D2D parallel?

11. What is the recent growth in the coordination chemistry of tpy ligand?

12. How many ml of ZnBr2 was layered on top of C6?

13. In what sphere are the pyridine rings bonded?

14. What is the asymmetric unit of a ligand?

Figures

Citations

Terpyridine-based metallosupramolecular constructs: tailored monomers to precise 2D-motifs and 3D-metallocages.

Divergent 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines as linkers in 2- and 3-dimensional architectures

The terpyridine isomer game: from chelate to coordination network building block.

Solvent Induced Conversion of a Self-Assembled Gyrobifastigium to a Barrel and Encapsulation of Zinc-Phthalocyanine within the Barrel for Enhanced Photodynamic Therapy.

Constructing chiral MOFs by functionalizing 4,2':6',4"-terpyridine with long-chain alkoxy domains: rare examples of neb nets

References

Structure validation in chemical crystallography

Mercury CSD 2.0 – new features for the visualization and investigation of crystal structures

New software for searching the Cambridge Structural Database and visualizing crystal structures

CRYSTALS version 12: software for guided crystal structure analysis

Coordination Polymers: Design, Analysis and Application

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