Author: Marlena ŁUkomska-rogala

0000000001288125

AUTHOR

Marlena ŁUkomska-rogala

Non-covalent interactions of N-phenyl-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide derivatives—a case of intramolecular N-oxide hydrogen bonds

The crystal structures of new N-phenyl-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide derivatives are reported. The results of X-ray diffraction showed the existence of intramolecular hydrogen bonding between carboxamide nitrogen donors and N-oxide oxygen acceptors. The use of Quantum Theory of Atoms in Molecules allowed its classification as a strong interaction, with energy about 10 kcal/mol, and of intermediate character between closed shell and shared bonds. Comparison of experimental data and quantum theoretical calculations indicated that a substituent attached to the phenyl ring in the para position influences the strength and geometry of the title hydrogen bonding. Stronger π-elect…

research product

CCDC 1521300: Experimental Crystal Structure Determination

Related Article: Marlena Łukomska-Rogala, Agnieszka J. Rybarczyk-Pirek, Krzysztof Ejsmont, Marcin Jasiński, Marcin Palusiak|2017|Struct.Chem.|28|1229|doi:10.1007/s11224-017-0935-x

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CCDC 1521295: Experimental Crystal Structure Determination

Related Article: Marlena Łukomska-Rogala, Agnieszka J. Rybarczyk-Pirek, Krzysztof Ejsmont, Marcin Jasiński, Marcin Palusiak|2017|Struct.Chem.|28|1229|doi:10.1007/s11224-017-0935-x

research product

CCDC 1521297: Experimental Crystal Structure Determination

Related Article: Marlena Łukomska-Rogala, Agnieszka J. Rybarczyk-Pirek, Krzysztof Ejsmont, Marcin Jasiński, Marcin Palusiak|2017|Struct.Chem.|28|1229|doi:10.1007/s11224-017-0935-x

research product

CCDC 1521299: Experimental Crystal Structure Determination

Related Article: Marlena Łukomska-Rogala, Agnieszka J. Rybarczyk-Pirek, Krzysztof Ejsmont, Marcin Jasiński, Marcin Palusiak|2017|Struct.Chem.|28|1229|doi:10.1007/s11224-017-0935-x

research product

CCDC 1521296: Experimental Crystal Structure Determination

Related Article: Marlena Łukomska-Rogala, Agnieszka J. Rybarczyk-Pirek, Krzysztof Ejsmont, Marcin Jasiński, Marcin Palusiak|2017|Struct.Chem.|28|1229|doi:10.1007/s11224-017-0935-x

research product

CCDC 1521298: Experimental Crystal Structure Determination

Related Article: Marlena Łukomska-Rogala, Agnieszka J. Rybarczyk-Pirek, Krzysztof Ejsmont, Marcin Jasiński, Marcin Palusiak|2017|Struct.Chem.|28|1229|doi:10.1007/s11224-017-0935-x

research product

PEPhysical Sciences and Engineering
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LSLife Sciences
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