Synthesis and crystal structure study of a new single-enantiomer phosphinicamide, (C6H5)2P(O)[NH-(S)-(–)CH(CH3)(C6H4-4-CH3)]: Hirshfeld surface analysis

Document Type : Original Article

Authors

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

Abstract

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

References

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History

  • Receive Date: 31 July 2024
  • Revise Date: 10 September 2024
  • Accept Date: 05 October 2024

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