##HirshfeldSurfaceAnalysis
Pazhamalai et al.: Crystal structure and Hirshfeld surface analysis of ethyl 2-amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­cyclo­octa­[b]pyridine-3-carboxyl­ate ##HirshfeldSurfaceAnalysis... ##IUCrhttps://journals.iucr.org/paper?S2056989026003087
Crystal structure and Hirshfeld surface analysis of ethyl 2-amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­cyclo­octa­[b]pyridine-3-carboxyl­ate
In the title compound, the cyclo­octene ring has a boat–chair conformation.
journals.iucr.org
March 28, 2026 at 1:01 AM
Schwab and Kreidt: Crystal structures of an azo­benzene-bridged aza-18-crown-6 cryptand and a sodium complex thereof ##CrystalStructure##HirshfeldSurfaceAnalysis##Sodium... ##IUCrhttps://journals.iucr.org/paper?S2056989026001234
Crystal structures of an azo­benzene-bridged aza-18-crown-6 cryptand and a sodium complex thereof
The single-crystal X-ray diffraction structures of an azo­benzene-bridged aza-18-crown-6 cryptand and its sodium complex are reported.
journals.iucr.org
February 11, 2026 at 1:00 AM
Sunithakumari et al.: Syntheses and structures of N-(2-fluoro­phen­yl)-2-oxo-2H-chromene-3-carboxamide and N-[4-(methyl­sulfon­yl)phen­yl]-2-oxo-2H-chromene-3-carboxamide ##HirshfeldSurfaceAnalysis##Oxo2HChromene... ##IUCrhttps://journals.iucr.org/paper?S2056989026001180
Syntheses and structures of N-(2-fluoro­phen­yl)-2-oxo-2H-chromene-3-carboxamide and N-[4-(methyl­sulfon­yl)phen­yl]-2-oxo-2H-chromene-3-carboxamide
Two 2-oxo-2H-chromene derivatives were synthesized by acid–aniline coupling reactions. These two compounds were subjected to SXRD and Hirshfeld surface analysis to explore their inter­molecular inter­actions.
journals.iucr.org
February 11, 2026 at 1:00 AM
D​ivyabharathi et al.: Crystal structure and Hirshfeld surface analysis of 1-(2-chloro­acet­yl)-3-methyl-2,6-bis­(4-methylphen­yl)piperidin-4-one ##HirshfeldSurfaceAnalysis##IntermolecularHydrogenBonds... ##IUCrhttps://journals.iucr.org/paper?S2056989026000083
Crystal structure and Hirshfeld surface analysis of 1-(2-chloro­acet­yl)-3-methyl-2,6-bis­(4-methylphen­yl)piperidin-4-one
In the title compound, the crystal packing features C—H⋯Cl hydrogen bonds, which form R22(12) graph-set motifs.
journals.iucr.org
January 9, 2026 at 1:00 AM
M​aheswari et al.: Crystal structure and Hirshfeld surface analysis of (E)-2-cyano-N′-(3,4,5-tri­meth­oxy­benzyl­idene)acetohydrazide ##Benzohydrazine##IntermolecularHydrogenBonds##HirshfeldSurfaceAnalysis... ##IUCrhttps://journals.iucr.org/paper?S2056989025003913
Crystal structure and Hirshfeld surface analysis of (E)-2-cyano-N′-(3,4,5-tri­meth­oxy­benzyl­idene)acetohydrazide
In the title compound, the crystal packing features strong N—H⋯O hydrogen bonds, which form C(4) chain-motifs.
journals.iucr.org
May 10, 2025 at 12:00 AM
Reynolds et al.: Crystal structure and Hirshfeld surface analysis of {2-[bis­(pyridin-2-ylmeth­yl)amino]­ethane-1-thiol­ato}­chlorido­cadmium(II) ##CrystalStructure##HirshfeldSurfaceAnalysis##ChelatingNSLigands... ##IUCrhttps://journals.iucr.org/paper?S2056989024009198
Crystal structure and Hirshfeld surface analysis of {2-[bis­(pyridin-2-ylmeth­yl)amino]­ethane-1-thiol­ato}­chlorido­cadmium(II)
A mononuclear cadmium(II) complex [CdLCl], where HL = 2-[bis­(pyridin-2-ylmeth­yl)amino]­ethane-1-thiol, was synthesized and characterized by single-crystal X-ray diffraction and Hirshfeld analysis.
journals.iucr.org
October 1, 2024 at 12:00 AM
Coulibaly et al.: Synthesis, non-spherical structure refinement and Hirshfeld surface analysis of racemic 2,2′-diisobut­oxy-1,1′-bi­naphthalene ##BinaphthylDerivative##NonSphericalRefinement##HirshfeldSurfaceAnalysis... ##IUCrhttps://journals.iucr.org/paper?S2056989024009101
Synthesis, non-spherical structure refinement and Hirshfeld surface analysis of racemic 2,2′-diisobut­oxy-1,1′-bi­naphthalene
The structure of the title 1–1′-binaphthyl derivative was refined with non-spherical atomic form factors computed using the DFT method at the PBE0/def2-TZVP basis set level.
journals.iucr.org
September 25, 2024 at 12:00 AM
Risken et al.: Crystal structure and Hirshfeld surface analysis of a halogen bond between 2-(allyl­thio)­pyridine and 1,2,4,5-tetra­fluoro-3,6-di­iodo­benzene ##CrystalStructure##HalogenBond##HirshfeldSurfaceAnalysis... ##IUCrhttps://journals.iucr.org/paper?S2056989024005693
Crystal structure and Hirshfeld surface analysis of a halogen bond between 2-(allyl­thio)­pyridine and 1,2,4,5-tetra­fluoro-3,6-di­iodo­benzene
The crystal structure of the mol­ecular complex between 2-(allyl­thio)­pyridine and 1,2,4,5-tetra­fluoro-3,6-di­iodo­benzene, which exhibits an N⋯I halogen bond, has been determined at 100 K.
journals.iucr.org
June 22, 2024 at 12:00 AM
Jagadeesan et al.: Crystal structure and Hirshfeld surface analysis of 6,6′-dimethyl-2,2′-bi­pyridine-1,1′-diium tetra­chlorido­cobaltate(II) ##CobaltComplex##SubstitutedBipyridine##HirshfeldSurfaceAnalysis... ##IUCrhttps://journals.iucr.org/paper?S2056989024005152
Crystal structure and Hirshfeld surface analysis of 6,6′-dimethyl-2,2′-bi­pyridine-1,1′-diium tetra­chlorido­cobaltate(II)
The title salt features N—H⋯Cl and C—H⋯Cl cation-to-anion hydrogen bonds and complementary anion-to-cation Cl⋯π inter­actions.
journals.iucr.org
June 12, 2024 at 12:00 AM