0000000001303468
AUTHOR
Marlena ŁUkomska
Temperature-dependent polymorphism of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide: experimental and theoretical studies on intermolecular interactions in the crystal state
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…
CCDC 943140: Experimental Crystal Structure Determination
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
CCDC 932320: Experimental Crystal Structure Determination
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
CCDC 932321: Experimental Crystal Structure Determination
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