0000000001303468

AUTHOR

Marlena ŁUkomska

showing 4 related works from this author

Temperature-dependent polymorphism of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide: experimental and theoretical studies on int…

2014

X-ray analysis of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide reveals the temperature-dependent polymorphism associated with the crystallographic symmetry conversion. The observed crystal structure transformation corresponds to a symmetry reduction from I41 /a (I) to P43 (II) space groups. The phase transition mainly concerns the subtle but clearly noticeable reorganization of molecules in the crystal space, with the structure of individual molecules left almost unchanged. The Hirshfeld surface analysis shows that various intermolecular contacts play an important role in the crystal packing, revealing graphically the differences in spatial arrangements of the molecule…

Hydrogen bondingCrystallographic point groupAIM approachHydrogen bondChemistryIntermolecular forceCrystal structureCondensed Matter PhysicsAcceptorN-oxideX-ray diffractionCrystallographyPolymorphism (materials science)Intramolecular forceMoleculeHirshfeld surface analysisPhysical and Theoretical ChemistryPolymorphism
researchProduct

CCDC 943140: Experimental Crystal Structure Determination

2014

Related Article: Agnieszka J. Rybarczyk-Pirek, Marlena Łukomska, Krzysztof Ejsmont, Marcin Jasiński, Marcin Palusiak|2014|Struct.Chem.|25|979|doi:10.1007/s11224-014-0404-8

Space GroupCrystallographyCrystal SystemCrystal StructureN-(4-Fluorophenyl)-15-dimethyl-1H-imidazole-4-carboxamide 3-oxideCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 932320: Experimental Crystal Structure Determination

2014

Related Article: Agnieszka J. Rybarczyk-Pirek, Marlena Łukomska, Krzysztof Ejsmont, Marcin Jasiński, Marcin Palusiak|2014|Struct.Chem.|25|979|doi:10.1007/s11224-014-0404-8

Space GroupCrystallographyCrystal SystemCrystal StructureN-(4-Fluorophenyl)-15-dimethyl-1H-imidazole-4-carboxamide 3-oxideCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 932321: Experimental Crystal Structure Determination

2014

Related Article: Agnieszka J. Rybarczyk-Pirek, Marlena Łukomska, Krzysztof Ejsmont, Marcin Jasiński, Marcin Palusiak|2014|Struct.Chem.|25|979|doi:10.1007/s11224-014-0404-8

Space GroupCrystallographyCrystal SystemCrystal StructureN-(4-Fluorophenyl)-15-dimethyl-1H-imidazole-4-carboxamide 3-oxideCell ParametersExperimental 3D Coordinates
researchProduct