Preparation, crystal structure investigation, Hirshfeld surface analysis and molecular energy frameworks calculation of a new phosphinicamide : (C6H5)2P(O)(NHCH2C6H4-4-Cl)

Document Type : Research

Authors

1 Ferdowsi university of Mashhad

2 Masaryk University

Abstract

In this research, N-(4-chlorobenzyl)-P,P-diphenylphosphinicamide, (C6H5)2P(O)(NHCH2C6H4-4-Cl), was prepared and structurally determined by X-ray diffraction on a single crystal. This compound crystallizes in the tetragonal crystal system with space group I4, Z = 8, a = 22.0010(2) Å and c = 7.0921(1) Å and the asymmetric unit contains one molecule. The phosphorous atom adopts a distorted tetrahedral environment, and all the bond lengths and angles are generally within the expected values observed in analogous structures. In the crystal structure, a three-dimensional arrangement is formed by connecting of molecules through N—H...O=P hydrogen bonds and C—H…π interactions. Hirshfeld surface, two-dimensional fingerprint diagram and lattice energy were studied to investigate the interactions existing in the structure.



 

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History

  • Receive Date: 26 July 2025
  • Revise Date: 21 August 2025
  • Accept Date: 12 October 2025

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