Crystallographic investigation, Hirshfeld surface analysis, NLO characterization and experimental spectral (UV and NMR) studies with DFT probe on(R)-9-(2-hydroxy propyl)adenine

Crystallographic investigation, Hirshfeld surface analysis, NLO characterization and experimental spectral (UV and NMR) studies with DFT probe on(R)-9-(2-hydroxy propyl)adenine

In this study, (R)-9-(2-hydroxy propyl)adenine (HPA) is the molecule of interest for investigation. The XRD from single crystal of HPA has been used to extract its structural features. Since HPA crystallised in a non-centro symmetric space group P212121, its NLO property was studied and it was found...

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Bibliographic Details
Main Authors: S. Sharmila Tagore, J. Swaminathan, D. Manikandan, S. Gomathi, N. Sabarinathan, M. Ramalingam, V. Sethuraman
Format: Article
Language:English
Published: Elsevier 2021-04-01
Series:Heliyon
Subjects:
Structural analysis
Hirshfeld surface analysis
NMR
UV
(R)-9-(2-hydroxy propyl)adenine
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844021006964

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