Hirshfeld Surface Analysis and Density Functional Theory Calculations of 2-Benzyloxy-1,2,4-triazolo[1,5-<i>a</i>] quinazolin-5(4<i>H</i>)-one: A Comprehensive Study on Crystal Structure, Intermolecular Interactions, and Electronic Properties

Hirshfeld Surface Analysis and Density Functional Theory Calculations of 2-Benzyloxy-1,2,4-triazolo[1,5-<i>a</i>] quinazolin-5(4<i>H</i>)-one: A Comprehensive Study on Crystal Structure, Intermolecular Interactions, and Electronic Properties

This study employs a comprehensive computational analysis of the 2-benzyloxy-1,2,4-triazolo[1,5-<i>a</i>] quinazolin-5(4<i>H</i>)-one (ID code: CCDC 834498) to explore its intermolecular interactions, surface characteristics, and crystal structure. Utilizing the Hirshfeld sur...

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Bibliographic Details
Main Authors: Ahmed H. Bakheit, Hatem A. Abuelizz, Rashad Al-Salahi
Format: Article
Language:English
Published: MDPI AG 2023-09-01
Series:Crystals
Subjects:
triazoloquinazoline
DFT
Hirshfeld study
crystal structure
Online Access:https://www.mdpi.com/2073-4352/13/10/1410

Internet

https://www.mdpi.com/2073-4352/13/10/1410

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