ChemInform Abstract: Synthesis and Antimicrobial Activities os Some N‐{4‐[5‐Aryl‐1‐(isonicotinoyl)pyrazol‐3‐yl]‐phenyl}‐benzenesulfonamide and 3‐(4‐Benzenesulfonylaminophenyl)‐5‐aryl‐pyrazole‐1‐carboxylic Acid Amide.

Jamode, V. S.; Chandak, Hemant S.; Bhagat, Pundlik Rambhau

doi:10.1002/chin.200924117

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2015

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“…This heterocyclic system is responsible for a broad spectrum of biological activities. There are numerous studies of simple thiazoles, reporting their biological activity [1][2][3][4][5][6]. Due to their properties, thiazole derivatives are interesting candidates for obtaining new materials.…”

Section: Introductionmentioning

confidence: 99%

Molecular Structure Investigation of Z-3n(2-Ethoxyphenyl)-2-N'(2-Ethoxyphenyl)-Imino-Thiazolidin-4-One by Ab Initio, DFT and X-Ray Diffraction Methods

2015

JSC

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We report here the synthesis of the Z-3N(2-ethoxyphenyl)-2-Nc(2-ethoxyphenyl)-iminothiazolidin-4-one compound. The crystal structure is determined by X-ray diffraction. The compound crystallizes in the monoclinic system with the space group P2 1 /n and cell parameters: a = 9.4094(10) Å, b = 9.3066(10) Å, c = 20.960(2) Å, E = 99.0375(10)q, V = 1812.7(3) Å 3 and Z = 4. The structure is refined to final R = 0.05 for 2083 observed reflections. The molecule in the crystal exhibits the intermolecular hydrogen bonds of C-H…O, C-H…N, and C-H…S types. Ab initio calculations are also performed at Hartree-Fock (HF) and density functional theory (DFT) levels. The full HF and DFT geometry optimization is carried out using the 6-31G(d,p) basis set. The observed molecular structure is compared with that calculated by both HF and DFT methods. The optimized geometry of the titled compound is found to be consistent with the structure determined by X-ray diffraction.

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Section: Introductionmentioning

confidence: 99%

Molecular Structure Investigation of Z-3n(2-Ethoxyphenyl)-2-N'(2-Ethoxyphenyl)-Imino-Thiazolidin-4-One by Ab Initio, DFT and X-Ray Diffraction Methods

2015

JSC

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ChemInform Abstract: Synthesis and Antimicrobial Activities os Some N‐{4‐[5‐Aryl‐1‐(isonicotinoyl)pyrazol‐3‐yl]‐phenyl}‐benzenesulfonamide and 3‐(4‐Benzenesulfonylaminophenyl)‐5‐aryl‐pyrazole‐1‐carboxylic Acid Amide.

Cited by 1 publication

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Molecular Structure Investigation of Z-3n(2-Ethoxyphenyl)-2-N'(2-Ethoxyphenyl)-Imino-Thiazolidin-4-One by Ab Initio, DFT and X-Ray Diffraction Methods

Molecular Structure Investigation of Z-3n(2-Ethoxyphenyl)-2-N'(2-Ethoxyphenyl)-Imino-Thiazolidin-4-One by Ab Initio, DFT and X-Ray Diffraction Methods

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