Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 34737-89-8, Name is 1-Benzyl-3-methylpiperidin-4-one, SMILES is O=C1C(C)CN(CC2=CC=CC=C2)CC1, in an article , author is Sahoo, Priya Ranjan, once mentioned of 34737-89-8, Computed Properties of C13H17NO.
Experimental and computational investigation of polymorphism in methyl 3-hydroxy-4-(piperidin-1-ylmethyl)-2-naphthoate
A piperidine substituted methyl 3-hydroxy-2-naphthoate was synthesized for application as a supramolecular host, which yielded colorless and light yellowish orange crystals using different solvents for crystallization. The crystals of the substituted methyl 3-hydroxy-2-naphthoate were analysed using melting point, IR, Reflectance UV-Visible, fluorescence, SEM, H-1 NMR, DSC, PXRD and single crystal X-ray crystallographic techniques to reveal polymorphism. The crystal data were also analysed computationally using Gaussian 09, CLP-PIXEL, Crystal Explorer software to reveal the differences in the intermolecular interactions and optical properties. The short intermolecular interactions such as C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions differentiated the polymorphs of the molecule studied here. (C) 2020 Elsevier B.V. All rights reserved.
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Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem