Crystal structure of N-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carbothioamide, C18H17BrF3N3S

Article Crystallography

Crystal structure of N-ethyl-4-[3-(trifluoromethyl)-phenyl]piperazine-1-carbothioamide, C14H18F3N3S

Lamya H. Al-Wahaibi et al.

Summary: This is a description of the crystal structure of C14H18F3N3S. It belongs to the monoclinic system with cell parameters of a = 4.61919(4) Å, b = 29.1507(3) Å, c = 11.27803(10) Å, β = 94.4768(8) degrees, and volume of 1513.99(3) Å^3. The unit cell contains 4 molecules. The R- gt (F) value is 0.0588 and the wR( ref )(F-2) value is 0.1579. The temperature is 160 K.

ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES (2023)

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Article Medicine, Research & Experimental

Design and synthesis of benzo[d] thiazol-2-yl-methyl-4-(substituted)-piperazine-1-carbothioamide as novel neuronal nitric oxide inhibitors and evaluation of their neuroprotecting effect in 6-OHDA-induced unilateral lesioned rat model of Parkinson's disease

Saurabh Agrawal et al.

Summary: This study designed and synthesized N-(benzo[d]thiazol-2-ylmethyl)-4-(4-nitrophenyl) piperazine-1-carbothioamide as a novel neuronal nitric oxide synthase (nNOS) inhibitor, with compound 18 showing the highest selectivity for nNOS. Treatment with compound 18 improved motor and non-motor functions, increased dopamine levels, and decreased glutamate and nitrite ions in a 6-OHDA-induced rat model of Parkinson's disease. The study highlights the significant neuroprotective potential of compound 18 in the treatment of Parkinson's disease and other neurodegenerative disorders.

BIOMEDICINE & PHARMACOTHERAPY (2022)

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Article Chemistry, Multidisciplinary

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis o molecular crystals

Peter R. Spackman et al.

Summary: CrystalExplorer is a native cross-platform program that supports visualization and investigation of molecular crystal structures, with enhanced capabilities for calculating intermolecular interactions and quantum-mechanical properties. The software, including the latest version CrystalExplorer21, is available for free download and academic research use.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2021)

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Article Biochemistry & Molecular Biology