Synthesis, Crystal Structures Investigations and Hirshfeld Surface Analysis of Novel Molecule 2, 5-Dihydro [2]Benzopyrano [3,4-c] Pyrazole-water (1/4)

Authors: Shripanavar CS , Sharma V and Gupta VK

DOI: 10.23880/macij-16000180

Volume 7, Issue 2

Abstract

2,5-dihydro[2]benzopyrano[3,4-c]pyrazole-water (1/4) has been novel and newly synthesized nucleus has till date never been reported earlier, it has crystallized in reddish bipyramidal shape, further its need to determine the site of action of these kind of molecules, followed by its detailed X-ray crystal structure were studied. Crystal structure was solved by direct method and refined by full matrix least squares procedure. The crystal structure was stabilized by elaborate system of O-H…N, N-H…O, N-H…N and C-H…O hydrogen bonds along with π-π interactions. 3D Hirshfeld surfaces and allied 2D fingerprint plots were analyzed for molecular interactions.

Keywords: Synthesis; Crystal Structure; Intermolecular Hydrogen Bonding; Hirshfeld Surface Analysis

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