Crystal Structure of 2-(Ethoxymethylene)malononitrile and DFT Evaluation of the C-H···N≡C Close Contacts Energy

Crystal Structure of 2-(Ethoxymethylene)malononitrile and DFT Evaluation of the C-H···N≡C Close Contacts Energy

2-(Ethoxymethylene)malononitrile (<b>1)</b> is a very convenient building block for the construction of various heterocycles and it is assumed to be an intermediate in different three-component reactions. Here, we present the results of XRD of (<b>1)</b> demonstrating the lin...

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Bibliographic Details
Main Authors: Vyacheslav S. Grinev, Ilya A. Demeshko, Anna E. Sklyar, Alevtina Yu. Yegorova
Format: Article
Language:English
Published: MDPI AG 2023-11-01
Series:Chemistry Proceedings
Subjects:
crystal structure
disorder
non-covalent interactions
quantum chemical modeling
interaction energy evaluating
2-(ethoxymethylene)malononitrile
Online Access:https://www.mdpi.com/2673-4583/14/1/10
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