X-ray crystallographic comparison of pyrazole subsidiaries

Materials Today: Proceedings(2023)

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摘要
Crystallographic data of three Pyrazole compounds have been compared by using X-ray techniques. The compounds under investigation for the present study are namely (Z)-3-Methyl-1-phenyl-4-[(p-tolyl)(p-tolylamino)methylidene]-1H-pyrazol-5(4H)-one (1), (Z)-3-Methyl-4-[1-(4-methylanilino)-propylidene]-1-phenyl-1H-pyrazol-5(4H)-one (2) and (Z)-3-Methyl-4-((naphth-1-ylamino)methylidene)-1-phenyl-1H-pyrazol-5(4H)-one (3) respectively. All the three compounds (1), (2) and (3) were crystallizes in the monoclinic, triclinic and orthorhombic crystal system having space group P21/n, P-1 and P212121 respectively. In all the said derivatives, the pyrazole ring is planar and the molecules are attached by an extending system of N-H…O hydrogen bonds. The direct method technique was taking under consideration for the single crystal X-ray diffraction data for all the three compounds collected at room temperature and refinement was done by full-matrix least-squares treatment. Then also these compounds have been compared for their biological relevance.
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关键词
Crystal structure,Pyrazole subsidiaries,Direct methods,Hydrogen bond
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