Synthesis and Charaterizations of the Schiff Base Derived from 2-Hydroxy-5-Nitrobenzaldehyde Alongwith Hirshfeld Surface Analysis and Computational Study

Simsek, O.; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Ozturk, S.; Ağar, Erbil

doi:10.1134/s0022476623050128

Cited by 28 publications

(3 citation statements)

References 48 publications

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“…The pressure bearing ability of the crystal can be explored by the surface designed for voids through the concept based on procrystal electron density. 34–36 The grey coloured regions are the voids and such surfaces for compounds 5–8 are shown in Fig. 4.…”

Section: Resultsmentioning

confidence: 99%

Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies

Fatima,

Siddiqui,

Choudhary

et al. 2024

RSC Adv.

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Section: Resultsmentioning

confidence: 99%

Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies

Fatima,

Siddiqui,

Choudhary

et al. 2024

RSC Adv.

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“…The interest of researchers in designing new crystals with properties better than the already-known crystals is increasing day by day, and for this, a significant knowledge of the intermolecular interactions is required. In this prospective, we are going to explore the intermolecular interactions in DBIC , BMBB and IMBC by Hirshfeld surface analysis by using Crystal Explorer version 21.5 [ 68 – 70 ]. Hirshfeld surface plotted over normalized distances ( d norm ) use colour coding to separate short contacts from the longer ones.…”

Section: Resultsmentioning

confidence: 99%

Benzimidazolium quaternary ammonium salts: synthesis, single crystal and Hirshfeld surface exploration supported by theoretical analysis

Jamil,

Gondal,

Ali

et al. 2024

R. Soc. Open Sci.

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Owing to the broad applications of quaternary ammonium salts (QAS), we present the synthesis of benzimidazolium-based analogues with variation in the alkyl and alkoxy group at N-1 and N-3 positions. All the compounds were characterized by spectroscopic techniques and found stable to air and moisture both in the solid and solution state. Moreover, molecular structures were established through single-crystal X-ray diffraction studies. The crystal packing of the compounds was stabilized by numerous intermolecular interactions explored by Hirshfeld surface analysis. The enrichment ratio was calculated for the pairs of chemical species to acquire the highest propensity to form contacts. Void analysis was carried out to check the mechanical response of the compounds. Furthermore, theoretical investigations were also performed to explore the optoelectronic properties of compounds. Natural population analysis (NPA) has been conducted to evaluate the distribution of charges on the synthesized compounds, whereas high band gaps of the synthesized compounds by frontier molecular orbital (FMO) analysis indicated their stability. Nonlinear optical (NLO) analysis revealed that the synthesized QAS demonstrates significantly improved NLO behaviour than the standard urea.

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“…Due to their high mechanical strength and durability, aliphatic polyamides (nylons) are used in numerous industrial and textile applications. There have been numerous reports of studies on clay nanocomposites based on nylon and other analog materials [14][15][16][17][18][19].…”

Section: Introductionmentioning

confidence: 99%

Synthesis and characterization of novel polyurethanes, polypyridazine, and polyamide based on s‐1,2,4,5‐tetrazine

Sayed,

Wiggins

2023

Journal of Heterocyclic Chem

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The synthesis and analysis of new polymeric materials based on 1,2,4,5‐tetrazine are discussed in this study. Tetrazine was mixed with thermoplastic polyurethane in dimethylformamide (DMF) as solvent and dibutyl tin dilaurate as catalyst at 50°C for 24 h to create brush polyurethane‐urea, which was then reacted with an unsaturated center in dimethyl sulfoxide as solvent at 60°C for 48 h made of either polyenol or thermoplastic polyurethane through π–π interaction. Because 1,2,4,5‐tetrazine (red color) is known to act as an electron‐deficient dine in inverse electron demand Diels–Alder reactions and can be easily converted to pyridazine (peach color) via [4 + 2] cycloaddition with suitable followed by expulsion of molecular nitrogen (cycloreversion), we observed a highly colored red shift to peach and this monitor for this reaction. Additionally, polyamide was prepared via reaction of 3,6‐diamino‐1,2,4,5‐tetrazine with terephthaloyl chloride in DMF as a suitable solvent and triethylamine as basic catalyst at 0°C for 3 h and then 36 h at room temperature. The new polymers that were produced were elucidated by spectral data.

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Synthesis and Charaterizations of the Schiff Base Derived from 2-Hydroxy-5-Nitrobenzaldehyde Alongwith Hirshfeld Surface Analysis and Computational Study

Cited by 28 publications

References 48 publications

Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies

Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies

Benzimidazolium quaternary ammonium salts: synthesis, single crystal and Hirshfeld surface exploration supported by theoretical analysis

Synthesis and characterization of novel polyurethanes, polypyridazine, and polyamide based on s‐1,2,4,5‐tetrazine

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