Crystal Structure, Thermodynamic Properties and DFT Studies of 5,6-dimethyl-1H-benzo[d]imidazol-3-ium 3-((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl) -2,4-dioxo-1,5-dioxaspiro[5.5]undecane Hydrate

Crystal Structure, Thermodynamic Properties and DFT Studies of 5,6-dimethyl-1H-benzo[d]imidazol-3-ium 3-((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl) -2,4-dioxo-1,5-dioxaspiro[5.5]undecane Hydrate

A new 1,5-dioxaspiro[5.5] derivative coupled with a benzimidazole moiety: 5,6-dimethyl-1H-benzo[d]imidazol-3-ium 3-((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene) methyl) -2,4-dioxo-1,5-dioxaspiro[5.5]undecane hydrate (<b>DBH</b>) was prepared. The crystal structure confirmed that it b...

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Bibliographic Details
Main Authors: Wulan Zeng, Xia Wang, Yunju Zhang
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Crystals
Subjects:
5,6-dimethyl-1H-benzo[d]imidazole
crystal structure
DFT calculation
vibrational frequencies
thermodynamic properties
Online Access:https://www.mdpi.com/2073-4352/11/11/1393

Internet

https://www.mdpi.com/2073-4352/11/11/1393

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