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

Articles in Press

Document Type : Original Article

Authors

1 Ferdowsi university of Mashhad

2 Masaryk University

10.22128/ijcm.2025.2901.0

Abstract

In this research, the new compound of 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 is crystallized 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. 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.



 

Keywords

Iranian Journal of Crystallography and Mineralogy

Articles in Press, Accepted Manuscript
Available Online from 09 August 2025

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History

  • Receive Date: 26 March 2024
  • Revise Date: 09 August 2025
  • Accept Date: 29 September 2024

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