سی و دومین همایش ملی بلورشناسی و کانی شناسی ایران , 2025-02-26

Title : ( Synthesis, Spectroscopy Identification, Structural Investigation, and Hirshfeld Surface Analysis of a New Phosphoric Triamide with the [C(O)(NH)P(O)] Skeleton )

Authors: Haniyeh Salari Jaieni , Alireza Ghanbarzademezerji , Mehrdad Pourayoubi ,

Citation: BibTeX | EndNote

Abstract

In this study, one new phosphoric triamide with the chemical formula (Cl3CC(O)NH)P(O)(NHCH(CH3)2)2 was synthesized and characterized using melting point analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies and X-ray crystallography method. Crystallographic data were collected at 120 K, and the compound exhibits a monoclinic crystal system with the space group P21/c. The unit cell parameters are a = 9.9287 (1) (Å), b = 16.2853 (2) (Å), c = 9.6290 (1) (Å), β (°) = 102.767 (1), V (Å3) = 1518.44 (3) and Z = 4. In the crystal structure, the molecules are connected through NH…O=P hydrogen bonds, in a tape arrangement. These hydrogen bonds appear large red areas on the Hirshfeld surface map. The fingerprint plot shows the most significant contributions of H…H (40.7%) and H…Cl/Cl…H (37.9%) in the crystal.

Keywords

, Spectroscopy, X-ray Crystallography, Crystal Network, Hydrogen Bonding
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@inproceedings{paperid:1105320,
author = {Salari Jaieni, Haniyeh and Ghanbarzademezerji, Alireza and Pourayoubi, Mehrdad},
title = {Synthesis, Spectroscopy Identification, Structural Investigation, and Hirshfeld Surface Analysis of a New Phosphoric Triamide with the [C(O)(NH)P(O)] Skeleton},
booktitle = {سی و دومین همایش ملی بلورشناسی و کانی شناسی ایران},
year = {2025},
location = {کرمان, IRAN},
keywords = {Spectroscopy; X-ray Crystallography; Crystal Network; Hydrogen Bonding},
}

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%0 Conference Proceedings
%T Synthesis, Spectroscopy Identification, Structural Investigation, and Hirshfeld Surface Analysis of a New Phosphoric Triamide with the [C(O)(NH)P(O)] Skeleton
%A Salari Jaieni, Haniyeh
%A Ghanbarzademezerji, Alireza
%A Pourayoubi, Mehrdad
%J سی و دومین همایش ملی بلورشناسی و کانی شناسی ایران
%D 2025

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