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Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 09/2017, Volume 1143, pp. 431 - 437
Two Cu(I) coordination polymers, {[Cu(pmbb) (4,4'-bipy) (PPh )](BF ) (H O) } (1) and {[Cu(pmbb) (bpe) (PPh )](BF )(DMF)} (2) (pmbb = N,... 
C–H⋯π | π⋯π | Cu(I) coordination polymers | Photoluminescent properties | Crystal structure
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 06/2017, Volume 56, Issue 26, pp. 7564 - 7567
Protein structure and function is dependent on myriad noncovalent interactions. Direct detection and characterization of these weak interactions in large... 
C−H⋅⋅⋅π interactions | density functional calculations | NMR spectroscopy | proteins | J coupling | C−H…π interactions | Life Sciences | Biomolecules | Biochemistry, Molecular Biology
Journal Article
Acta Crystallographica Section C, ISSN 2053-2296, 02/2019, Volume 75, Issue 2, pp. 189 - 195
Aminobenzylnaphthols are a class of compounds containing a large aromatic molecular surface which makes them suitable candidates to study the role of C—H…π... 
small molecule | CrystalExplorer | C—H…π interactions | crystal structure | aminobenzylnaphthol | Hirshfeld | packing | C—H⋅⋅⋅π interactions | Hydrogen bonds | Aromatic compounds | Chemical bonds | Naphthol | Bonding | Hydrogen bonding | Hydrogen ion concentration | Crystal structure
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 7/2008, Volume 120, Issue 4, pp. 385 - 393
In this manuscript we report high level ab initio calculations [RI-MP2(full)/aug-cc-pVDZ] and experimental evidence that demonstrate that important synergistic... 
Theoretical and Computational Chemistry | Synergistic effects | C–H/π interaction | Chemistry | Non covalent interactions | Physical Chemistry | Stacking | Inorganic Chemistry | Organic Chemistry | C-H/π interaction
Journal Article
Inorganica Chimica Acta, ISSN 0020-1693, 01/2017, Volume 455, pp. 1 - 8
Two copper(I) coordination polymers have been prepared and characterized. Intermolecular CN⋯π and C–H⋯π interactions play an important role in the construction... 
C–H⋯π | Crystal structures | Copper(I) coordination polymers | Photoluminescent properties | CN⋯π
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 01/2016, Volume 22, Issue 4, p. n/a
Biocatalysis γ‐Butyrobetaine hydroxylase (BBOX) contains an aromatic cage for the recognition of the positively charged trimethylammonium group of its... 
cation–pi interactions | oxygenases | enzyme catalysis | molecular recognition | C−H oxidation
Journal Article
Journal of Coordination Chemistry, ISSN 0095-8972, 02/2016, Volume 69, Issue 3, pp. 562 - 573
The synthesis and X-ray structural characterization of two silver(I) coordination polymers, [Ag 2 (bpp) 2 (Phdac)]·5H 2 O (1) and [Ag 2 (bpp)(HSSal)] (2), are... 
Silver(I) | Metal⋯π interaction | 5-sulfosalicylic acid | C-H⋯π interaction | 1,4-phenylenediacetic acid | CCH-π interaction | Metal.-π interaction
Journal Article
Acta Crystallographica Section C, ISSN 2053-2296, 06/2019, Volume 75, Issue 6, pp. 806 - 811
The adsorption behaviour of the CdII–MOF {[Cd(L)2(ClO4)2]·H2O (1), where L is 4‐amino‐3,5‐bis[3‐(pyridin‐4‐yl)phenyl]‐1,2,4‐triazole, for butan‐2‐one was... 
metal–organic framework | hydrogen‐bonding interactions | MOF | C—H…π interactions | solvent encapsulation | crystal structure | NMR spectroscopy | self‐assembly | Perchlorate | Cadmium | Nuclear magnetic resonance--NMR | Crystals | X-ray diffraction | Hydrogen bonding | Anions | Adsorption | Triazoles | Metal-organic frameworks | Bonding | Binding sites | Hydrogen ion concentration
Journal Article
Acta Crystallographica Section C, ISSN 2053-2296, 12/2014, Volume 70, Issue 12, pp. 1125 - 1132
Journal Article
JBIC Journal of Biological Inorganic Chemistry, ISSN 0949-8257, 6/2013, Volume 18, Issue 5, pp. 539 - 545
β-Lactamase production is the common mechanism of resistance of β-lactam antibiotics. Knowledge of inter-residue interactions in protein structures increases... 
Life Sciences | Biochemistry, general | β-Lactamases | Microbiology | Solvent accessibility | Conservation | C–H··· π interactions | Stabilization centres | C-H···π interactions | beta-Lactams - metabolism | Thermodynamics | beta-Lactamases - chemistry | Hydrogen Bonding | Solvents - chemistry | beta-Lactamases - metabolism | beta-Lactams - chemistry
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 07/2018, Volume 1163, pp. 336 - 344
Resorcin[4]arene (resorcinol cyclic tetramer, abbreviated as RCT) or pyrogallol[4]arene (pyrogallol cyclic tetramer, PCT) form host–guest 1:1 complexes with... 
Molecular recognition | Proline | Pyrogallolarene | C–H … π interaction | Resorcinarene | Crystal structure
Journal Article
Acta Crystallographica Section C, ISSN 0108-2701, 12/2013, Volume 69, Issue 12, pp. 1563 - 1566
The title 1,4‐naphthoquinone, 2‐dichloromethyl‐3‐methyl‐1,4‐dihydronaphthalene‐1,4‐dione, C12H8Cl2O2, is a chlorinated derivative of vitamin K3, which is a... 
halogen bond | crystal structure | anticancer activity | C—H...O hydrogen bonding | 1,4‐naphthoquinones | vitamin K3 derivative | 1,4-naphthoquinones | Halogen bond | Anticancer activity | C-H...O hydrogen bonding | derivative | Crystal structure | Vitamin K
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 07/2018, Volume 1163, pp. 336 - 344
Resorcin[ ]arene (resorcinol cyclic tetramer, abbreviated as RCT) or pyrogallol[ ]arene (pyrogallol cyclic tetramer, PCT) form host–guest 1:1 complexes with... 
Resorcinarene | Proline | Molecular recognition | Pyrogallolarene | C–H … π interaction | Crystal structure
Journal Article
Inorganic Chemistry Communications, ISSN 1387-7003, 2010, Volume 13, Issue 5, pp. 625 - 629
Fe(II) and Ni(II) complexes of 4- -tolyl-2,6-di(2-pyrazinyl)pyridine (tdpzpy) have been synthesized and characterized. The N⋯ interaction involving the... 
C–H⋯ π hydrogen bond | Fluorescence | Electronic absorption | N⋯ π interaction | Crystal structure | N⋯π interaction | C-H⋯π hydrogen bond
Journal Article
Inorganica Chimica Acta, ISSN 0020-1693, 05/2011, Volume 371, Issue 1, pp. 88 - 94
A series of zinc(II) and cadmium(II) complexes with 4-(3,5-diphenyl-1H- pyrazol-1-yl)-6-(piperidin-1-yl)pyrimidine (L), ZnLCl , CdLCl , ZnL Cl , CdL Cl , CdL... 
Cadmium(II) | Non-covalent (lone pair-π, C-H⋯N and C-H⋯Cl) interactions | Synthesis | Zinc(II) | Luminescence | Pyrazolylpyrimidines
Journal Article
Journal of Chemical Crystallography, ISSN 1074-1542, 7/2011, Volume 41, Issue 7, pp. 1071 - 1076
Two new complexes [Zn(sal)2(tpt)]·H2O(1), [Cd(sal)2(tpt)(H2O)]·H2O(2), have been obtained through ligands tpt and Hsal, where Hsal is salicylic acid and tpt is... 
Chemistry | C–H···π interaction | Physical Chemistry | Organometallic Chemistry | Inorganic Chemistry | Luminescent property | Crystallography | Hydrogen bond | π–π interaction | C-H•••π interaction | π-π interaction
Journal Article
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