Hydrogen bonding in thiobenzamide synthon and its Cadmium complex: Crystal structure and Hirshfeld analysis

Rigane, Ines; Walha, Siwar; Salah, Abdelhamid Ben

doi:10.1007/s12039-016-1133-x

Cited by 5 publications

(1 citation statement)

References 30 publications

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“…Although thiobenzoic acid has been used as a molecular probe for SERS substrates [21] and the Raman spectra of some thiobenzamide derivatives and complexes have been reported [22], this is the first SERS study of these two molecules which have a rich and complex structure with different tautomeric forms for protonated and deprotonated species (Fig. 1) able to bond to the metal surface in different ways.…”

Section: Introductionmentioning

confidence: 95%

Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy

López-Ramírez

Aranda

López‐Tocón

et al. 2021

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Section: Introductionmentioning

confidence: 95%

Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy

López-Ramírez

Aranda

López‐Tocón

et al. 2021

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Deciphering the Importance of Weak CH^…O and CH^…π Interactions in S‐Propyl (E)‐2‐(1,1‐Dioxido‐2‐Propylbenzo[d]Isothiazol‐3(2H)‐ylidene)‐1‐Propylhydrazine‐1‐Carbothioate: An Experimental and Theoretical Approach

Ahmed,

Kashif,

Tahir

et al. 2024

J of Physical Organic Chem

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The title compound, C17H25N3O3S2, hereafter 1, has been prepared and fully characterized by FTIR, 1H NMR and 13C NMR. Its crystal structure was determined by single‐crystal X‐ray diffraction. The crystal packing is stabilized by weak CH···O and CH···π interactions. The CLP‐Pixel method was used to quantify the energetically significant molecular dimers. The intermolecular contacts were identified and quantified using Hirshfeld surfaces (HS) and the corresponding fingerprint plots. The main contributions to the HS of 1 come from HH, OH/HO and CH/HC contacts, which cover about 93% of the total HS surface. The enrichment ratios showed that the favorable contacts accountable for the crystal packing are consistent with their contributions to the HS. Interaction region indicator (IRI) analysis was used to visualize the location and type of intermolecular contacts, allowing identify the CH···O contacts as van der Waals interactions. To visualize the 3D topology of interactions in the crystal structure, interaction energy values were used to construct energy framework diagrams, which showed that the dispersion energy dominates over other interaction energies, as expected for crystal packing governed by weak interactions. Finally, a combination of MEP surface, QTAIM and NCIplot analysis energetically confirmed the existence of CH···O and O···O dichalcogen interactions.

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Synthesis, single crystal X-ray structure determination, Hirshfeld surface analysis, crystal voids studies, and density functional theory calculations of N-carbamothioylbenzamide and 1,3,5-triazinane-2,4,6-trithione co-crystal

Aziz

Saeed²,

Shabir³

et al. 2023

Struct Chem

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Hydrogen bonding in thiobenzamide synthon and its Cadmium complex: Crystal structure and Hirshfeld analysis

Cited by 5 publications

References 30 publications

Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy

Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy

Deciphering the Importance of Weak CH^…O and CH^…π Interactions in S‐Propyl (E)‐2‐(1,1‐Dioxido‐2‐Propylbenzo[d]Isothiazol‐3(2H)‐ylidene)‐1‐Propylhydrazine‐1‐Carbothioate: An Experimental and Theoretical Approach

Synthesis, single crystal X-ray structure determination, Hirshfeld surface analysis, crystal voids studies, and density functional theory calculations of N-carbamothioylbenzamide and 1,3,5-triazinane-2,4,6-trithione co-crystal

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Hydrogen bonding in thiobenzamide synthon and its Cadmium complex: Crystal structure and Hirshfeld analysis

Cited by 5 publications

References 30 publications

Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy

Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy

Deciphering the Importance of Weak CH…O and CH…π Interactions in S‐Propyl (E)‐2‐(1,1‐Dioxido‐2‐Propylbenzo[d]Isothiazol‐3(2H)‐ylidene)‐1‐Propylhydrazine‐1‐Carbothioate: An Experimental and Theoretical Approach

Synthesis, single crystal X-ray structure determination, Hirshfeld surface analysis, crystal voids studies, and density functional theory calculations of N-carbamothioylbenzamide and 1,3,5-triazinane-2,4,6-trithione co-crystal

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Deciphering the Importance of Weak CH^…O and CH^…π Interactions in S‐Propyl (E)‐2‐(1,1‐Dioxido‐2‐Propylbenzo[d]Isothiazol‐3(2H)‐ylidene)‐1‐Propylhydrazine‐1‐Carbothioate: An Experimental and Theoretical Approach