Synthesis and characterization of<i>N</i>-(4-Aminophenylethynylbenzonitrile)-<i>N</i>′ -(1-naphthoyl)thiourea as single molecular chemosensor for carbon monoxide sensing

Daud, Adibah Izzati; Khairul, Wan M.; Zuki, Hafiza Mohamed; Bulat, Ku Halim Ku

doi:10.1080/17415993.2014.954248

Cited by 27 publications

(18 citation statements)

References 31 publications

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“…This higher thermal stability of compound 2 probably arise because in its crystal packing the chains are further stabilized by p-stacking between adjacent naphthalene and phenyl rings, as discussed previously. In general, the thermal behavior displayed by compounds 1 and 2 are in agreement with the previously reported for related compounds [62,63]. Table 4.…”

Section: Vibrational Analysissupporting

confidence: 90%

Synthesis, X-ray crystal structure, thermal behavior and spectroscopic analysis of 1-(1-naphthoyl)-3-(halo-phenyl)-thioureas complemented with quantum chemical calculations

Saeed

Ashraf

White

et al. 2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Two novel 1-(1-naphthoyl)-3-(halo-phenyl) substituted thioureas, namely 1-(1-naphthoyl)-3-(2,4-di-fluoro-phenyl)-thiourea (1) and 1-(1-naphthoyl)-3-(3-chloro-4-fluoro-phenyl)-thiourea (2), were synthesized and fully characterized. The X-ray crystal and molecular structures have been determined resulting in a planar acylthiourea group, with the C=O and C=S adopting a pseudo-antiperiplanar conformation. An intramolecular N-H⋯O=C hydrogen bond occurs between the thioamide and carbonyl groups. The crystal packing of both compounds is characterized by extended intermolecular N-H⋯S=C and N-H⋯O=C hydrogen-bonding interactions involving the acylthiourea moiety. Compound 2 is further stabilized by π-stacking between adjacent naphthalene and phenyl rings. The thermal behavior, as well as the vibrational properties, studied by infrared and Raman spectroscopy data complemented by quantum chemical calculations at the B3PW91/6-311++G(d,p) support the formation of these intra- and intermolecular hydrogen bonds. Furthermore, the UV-Vis spectrum is interpreted in terms of TD-DFT quantum chemical calculations with the shapes of the simulated absorption spectra in good accordance with the experimental data.

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Section: Vibrational Analysissupporting

confidence: 90%

Synthesis, X-ray crystal structure, thermal behavior and spectroscopic analysis of 1-(1-naphthoyl)-3-(halo-phenyl)-thioureas complemented with quantum chemical calculations

Saeed

Ashraf

White

et al. 2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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“…These ligand systems of thioureas are attractive scaffolds for several reasons (I) potential applications in a wide range of fields are being investigated and (II) these compounds are easily synthesized in high yields. Many acyl thiourea derivatives are well known as collectors in froth flotation processes [2,3] and as ionophores in ion-selective electrodes [4][5][6]. At the same time some of them are display a wide range of biological activity including insecticidal, herbicidal, antibacterial, antifungal, antitubercular, antithroid, antihelmintic, rodenticidal and plant-growth regulator properties [7][8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Crystal structure of cis-copper(II) complex with N-(di-n-propylcarbamothioyl)cyclohexanecarboxamide ligand

et al. 2016

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Copper(II) complex, cis-[Cu(L-κ 2 S,O)2] of N-(di-n-propylcarbamothioyl)cyclohexanecarboxamide ligands (HL) has been synthesized and structurally characterized by various spectroscopic techniques and single crystal X-ray diffraction crystallography. The cis-[Cu(L-κ 2 S,O)2], C28H50CuN4O2S2: Monoclinic, space group P21/n (no. 14), a = 10.025(2) Å, b = 21.724(4) Å, c = 14.848(3) Å, β = 100.60(3)°, Z = 4, Dcalc = 1.259 g/cm 3 , 22069 reflections measured (5.88° ≤ 2Θ ≤ 50.2°), 5639 unique (Rint = 0.0630, Rsigma = 0.0678) which were used in all calculations. The final R1 was 0.0488 (≥2σ(I)) and wR2 was 0.1277 (all data). Single crystal analysis revealed that a square-planar coordination geometry is formed around the copper atom by two sulphur and two oxygen atoms of the related ligand, which are in a cis configuration. KEYWORDS Thioureas Cis-complexCopper complex Single crystal structure Carboxamide derivatives Cyclohexanecarboxamide Cite this: Eur.

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“…Nowadays, thiourea derivatives have been used widely in numerous advanced materials application such as in drug development for pharmaceutical application, 1 chemical sensors for anions and gas detection, 2,3 active layer for photovoltaic solar cells and catalysis in promoting the crosscoupling reaction. 4,5 The uniqueness of thiourea derivatives incorporating with varies functional group substitutions make them versatile compounds to be applied in advanced materials application.…”

Section: Introductionmentioning

confidence: 99%

An Interaction of Chloro Substituted Alkoxy Thiourea as Dopant in Carboxymethyl Cellulose (CMC) for Solid Polymer Electrolyte

Khairul¹,

Ghazali²,

Isa³

et al. 2019

ECB

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Synthesis and characterization ofN-(4-Aminophenylethynylbenzonitrile)-N′ -(1-naphthoyl)thiourea as single molecular chemosensor for carbon monoxide sensing

Cited by 27 publications

References 31 publications

Synthesis, X-ray crystal structure, thermal behavior and spectroscopic analysis of 1-(1-naphthoyl)-3-(halo-phenyl)-thioureas complemented with quantum chemical calculations

Synthesis, X-ray crystal structure, thermal behavior and spectroscopic analysis of 1-(1-naphthoyl)-3-(halo-phenyl)-thioureas complemented with quantum chemical calculations

Crystal structure of cis-copper(II) complex with N-(di-n-propylcarbamothioyl)cyclohexanecarboxamide ligand

An Interaction of Chloro Substituted Alkoxy Thiourea as Dopant in Carboxymethyl Cellulose (CMC) for Solid Polymer Electrolyte

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