X-ray crystal structure, infrared, Raman and density functional studies of 7-azaindole-3-carboxaldehyde

Morzyk-Ociepa, Barbara; Szmigiel, Ksenia; Turowska‐Tyrk, Ilona; Michalska, Danuta

doi:10.1016/j.molstruc.2016.08.061

Cited by 8 publications

(1 citation statement)

References 29 publications

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“…It is possible that chelation may be necessary to stabilize this type of bond. The C=O bond distance in 1 is 1.228(4) Å which is long compared to the same distance in uncoordinated aldehydic carbonyl groups [56,57]. This lengthening is due to donation of electron density by O1 to the Lewis acidic iron center.…”

Section: Resultsmentioning

confidence: 99%

Assembly of a mononuclear ferrous site using a bulky aldehyde-imidazole ligand

Molenda

Biros

et al. 2017

Inorganica Chimica Acta

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A new iron(II) complex has been prepared and characterized. [Fe(TrImA)2(OTf)2] (1, TrImA = 1-Tritylimidazole-4-carboxaldehyde). The solid state structure of 1 has been determined by X-ray crystallography. Compound 1 crystallizes in monoclinic space group P21/c, with a = 10.8323(18) Å, b = 8.1606(13) Å and c = 24.818(4) Å. The iron center is coordinated to two imidazole groups, two pendant aldehyde-derived carbonyl oxygens and two triflate oxygens. The complex is high spin between 300 and 20 K as indicated by variable field variable temperature magnetic measurements. A fit of the magnetic data yielded g = 2.17 and D = 4.05 cm−1. A large HOMO-LUMO gap energy (4.49 eV) exists for 1 indicating high stability.

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Section: Resultsmentioning

confidence: 99%

Assembly of a mononuclear ferrous site using a bulky aldehyde-imidazole ligand

Molenda

Biros

et al. 2017

Inorganica Chimica Acta

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Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN₆ and CoN₄S₂ Coordination Spheres

et al. 2017

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In this study, we examine the coordination chemistry of benzyl dihydrazone and thiosemicarbazone Schiff bases featuring different chelation modes, steric bulk, and reactivities towards cobalt(II) thiocyanate. The tetradentate benzyl dihydrazone ligands coordinate to the Co(SCN) 2 fragment to form CoN 6 coordination spheres (1-3), whereas the thiosemicarbazone ligands provide Co III complexes featuring CoN 4 S 2 coordination spheres (4 and 5) and charge-balancing anions {SCNand [Co(SCN) 4 ] 2for 4 and 5, respectively}. Hirshfeld surface (HS) IntroductionThe arrangements and interactions between molecules (both organic and hybrid metal-organic) in the solid state constitute the basis of crystal engineering and materials science. For crystal engineering, it is essential to identify, understand, and possibly quantify participating interactions, and the ultimate goal is the prediction of crystal structures. [1] In materials science, the [a]

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Platinum(II) and copper(II) complexes of 7-azaindole-3-carboxaldehyde: crystal structures, IR and Raman spectra, DFT calculations and in vitro antiproliferative activity of the platinum(II) complex

Morzyk-Ociepa

Szmigiel-Bakalarz

Nentwig

et al. 2019

Inorganica Chimica Acta

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X-ray crystal structure, infrared, Raman and density functional studies of 7-azaindole-3-carboxaldehyde

Cited by 8 publications

References 29 publications

Assembly of a mononuclear ferrous site using a bulky aldehyde-imidazole ligand

Assembly of a mononuclear ferrous site using a bulky aldehyde-imidazole ligand

Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN₆ and CoN₄S₂ Coordination Spheres

Platinum(II) and copper(II) complexes of 7-azaindole-3-carboxaldehyde: crystal structures, IR and Raman spectra, DFT calculations and in vitro antiproliferative activity of the platinum(II) complex

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X-ray crystal structure, infrared, Raman and density functional studies of 7-azaindole-3-carboxaldehyde

Cited by 8 publications

References 29 publications

Assembly of a mononuclear ferrous site using a bulky aldehyde-imidazole ligand

Assembly of a mononuclear ferrous site using a bulky aldehyde-imidazole ligand

Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN6 and CoN4S2 Coordination Spheres

Platinum(II) and copper(II) complexes of 7-azaindole-3-carboxaldehyde: crystal structures, IR and Raman spectra, DFT calculations and in vitro antiproliferative activity of the platinum(II) complex

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Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN₆ and CoN₄S₂ Coordination Spheres