Volume 33, Issue 1 (3-2025)
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Khorramaki M, Pourayoubi M, Poupon M. Synthesis and crystal structure study of a new single-enantiomer phosphinicamide, (C6H5)2P(O)[NH-(S)-(–)CH(CH3)(C6H4-4-CH3)]: Hirshfeld surface analysis. www.ijcm.ir 2025; 33 (1) :161-168
URL: http://ijcm.ir/article-1-1909-en.html
URL: http://ijcm.ir/article-1-1909-en.html
1- Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran
2- Institute of Physics of the Czech Academy of Science, Na Slovance 2, 182 21 Prague 8, Czech Republic
2- Institute of Physics of the Czech Academy of Science, Na Slovance 2, 182 21 Prague 8, Czech Republic
Abstract: (12 Views)
In this research, the preparation of single crystal X-ray diffraction analysis of a new chiral compound of N-(1-paratolyl(ethyl))-P,P-diphenylphosphinicamide, (C6H5)2P(O)[NH-(S)-(–)CH(CH3)(C6H4-4-CH3)] are reported. This compound is crystallized in the orthorhombic crystal system with chiral space group , Z = 4, a = 23.400 (5) Å, b = 13.870 (3) Å and c = 11.301 (2) Å. The asymmetric unit consists of two symmetry-independent phosphinicamide molecules, which show the greatest difference in the N—C—C—C torsion angles related to the chiral amine. In the crystal structure, a three-dimensional arrangement of molecules is created by the N—H…O═P, C—H…O═P and C—H…π hydrogen bonds. The Hirshfeld surface (HS) analysis and two-dimensional fingerprint plots were studied to investigate the interactions in the structure. The ultraviolet absorption and rotational circular dichroism spectra were measured.
Keywords: Phosphinicamide, Crystal Structure, Single-Enantiomer, Hirshfeld Surface Analysis, Fingerprint Plots.
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