All Stories

  1. Influence of modelling disorder on Hirshfeld atom refinement results of an organo-gold(I) compound
  2. HAR, TAAM and BODD refinements of model crystal structures using Cu Kα and Mo Kα X-ray diffraction data
  3. On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model
  4. Experimental charge density of grossular under pressure – a feasibility study
  5. Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket
  6. Energetics of interactions in the solid state of 2-hydroxy-8-X-quinoline derivatives (X = Cl, Br, I, S-Ph): comparison of Hirshfeld atom, X-ray wavefunction and multipole refinements
  7. Doxycycline hydrate and doxycycline hydrochloride dihydrate – crystal structure and charge density analysis
  8. Yes, one can obtain better quality structures from routine X-ray data collection
  9. Applications of Hirshfeld surfaces to mineralogy: An example of alumohydrocalcite, and the classification of the dundasite group minerals
  10. Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics
  11. Synthesis, Structure, and Catalytic Activity of New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes
  12. Sunitinib: from charge-density studies to interaction with proteins
  13. Substituent and Solvent Effects on Intermolecular Interactions in Crystals of N-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies
  14. Influence of Fluorination and Boronic Group Synergy on the Acidity and Structural Behavior of o-Phenylenediboronic Acids
  15. Mechanistic Studies of Hoveyda-Grubbs Metathesis Catalysts Bearing S-, Br-, I-, and N-coordinating Naphthalene Ligands
  16. Formation of dilithiated bis-(1H-pyrazol-1-yl)alkanes and their application in the synthesis of diboronic acids
  17. Crystal Structure and Tautomerism of Capecitabine
  18. Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes
  19. A new class of pyrenyl solid-state emitters: 1-pyrenyl ynones. Synthesisviathe Friedel–Crafts route, molecular and electronic structure and photophysical properties
  20. Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments
  21. Synthesis and Crystal Structure of Anhydrous Analog of 1,25-Dihydroxyvitamin D3
  22. Synthesis and unusual ring transformation of 1-acyl-3-(ferrocenylmethylidene)-piperazine-2,5-diones
  23. Bis(L-serinium) oxalate dihydrate: polymorph II
  24. Synthesis and crystallographic study of 1,25-dihydroxyergocalciferol analogs
  25. Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices
  26. Dinuclear vanadium, copper, manganese and titanium complexes containing O,O,N-dichelating ligands: Synthesis, crystal structure and catalytic activity
  27. Synthesis, characterization and antiproliferative activity of β-aryl-δ-iodo-γ-lactones
  28. Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters
  29. Influence of the Silyl Group on the Reactivity of Some Ortho-Lithiated Aryl Alkyl Sulfides
  30. Testing New Ruthenium Complexes bearing Chiral 1,2,4-Triazol-5-ylidene ­Ligands as Catalysts for Asymmetric Olefin Metathesis
  31. Horse chestnut saponins as a source of new materials for exploratory medicinal chemistry
  32. ChemInform Abstract: Ruthenium Nitronate Complexes as Tunable Catalysts for Olefin Metathesis and Other Transformations.
  33. Preparation, Purification and Regioselective Functionalization of Protoescigenin—The Main Aglycone of Escin Complex
  34. The Influence of Boronate Groups on the Selectivity of the Br-Li Exchange in Model Dibromoaryl Boronates
  35. Substituent effect on benzylic lithiation of sulfides. Synthesis of diboronic acids derived from aryl–alkyl sulfides
  36. 3-Bromopyridine As a Sixth Ligand in Sulfoxide-Based Hoveyda Complexes: A Study on Catalytic Properties
  37. Physicochemical Characteristics of Sunitinib Malate and its Process-Related Impurities
  38. Ruthenium nitronate complexes as tunable catalysts for olefin metathesis and other transformations
  39. Stable ruthenium indenylidene complexes with a sterically reduced NHC ligand
  40. On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates
  41. N,N′-(Pyridine-2,6-diyl)dibenzamide
  42. Batchwise and Continuous Nanofiltration of POSS-Tagged Grubbs-Hoveyda-Type Olefin Metathesis Catalysts
  43. New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes
  44. ChemInform Abstract: Stability of Some Aryllithiums in the Presence of Cyano Group: Synthesis of Biaromatic Cyanoarylboronic Acids and Silanes.
  45. Catalytic and Structural Studies of Hoveyda-Grubbs Type Pre-Catalysts Bearing Modified Ether Ligands
  46. ChemInform Abstract: Synthesis of Functionalized Diarylborinic 8-Oxyquinolates via Bimetallic Boron-Lithium Intermediates.
  47. Solid State Structural Variations in Copper(II) Complexes of Open-Chain and Macrocyclic Malonamide-Derived Ligands
  48. A simple and efficient synthesis of boron–imidazole macrocycles and their crystal structures
  49. Flexible Mono‐ and Bis‐tetraazamacrocyclic Complexes of Copper and Nickel Stabilizing Different Oxidation States
  50. Synthesis of functionalized diarylborinic 8-oxyquinolates via bimetallic boron–lithium intermediates
  51. Differences in Charge Density Distribution and Stability of Two Polymorphs of Benzidine Dihydrochloride
  52. Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids
  53. Stability of some aryllithiums in the presence of cyano group: synthesis of biaromatic cyanoarylboronic acids and silanes
  54. Correction to Thermal Switchability of N-Chelating Hoveyda-type Catalyst Containing a Secondary Amine Ligand
  55. From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives
  56. Ruthenium-Amido Complexes: Synthesis, Structure, and Catalytic Activity in Olefin Metathesis
  57. Controlled Crystallization, Structure, and Molecular Properties of Iodoacetylamphotericin B
  58. On the Directing Effect of Boronate Groups in the Lithiation of Boronated Thiophenes
  59. Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry
  60. Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies
  61. Electronic and molecular structures and bulk second–order nonlinear optical properties of ferrocenyl ynones
  62. On the different coordination of NiII, ZnII and CdII cations in their model Schiff base complexes – Single crystal X-ray and solid state NMR studies
  63. ChemInform Abstract: Functionalization of Some Benzylthioarylboronic Acids by Benzylic Lithiation of Their N-Butyldiethanolamine Esters or Lithium(triisopropoxy)borates.
  64. Thermal Switchability of N-Chelating Hoveyda-type Catalyst Containing a Secondary Amine Ligand
  65. Aerobic Fujiwara–Moritani alkenylation and dienylation of ferrocene
  66. The Doping Effect of Fluorinated Aromatic Solvents on the Rate of Ruthenium-Catalysed Olefin Metathesis
  67. Macrocyclic Multicenter Complexes of Nickel and Copper of Increasing Complexity
  68. On the nature of Ni⋯Ni interaction in a model dimeric Ni complex
  69. Hydrogen bonding in Schiff bases – NMR, structural and experimental charge density studies
  70. Functionalization of some benzylthioarylboronic acids by benzylic lithiation of their N-butyldiethanolamine esters or lithium (triisopropoxy)borates
  71. The Role of the C–H···π Interactions in the Cyclisation Reactions Leading to New Aryl‐Bridged Tetraazamacrocyclic Complexes of Copper and Nickel
  72. Novel ferrocenyl phosphonate derivatives. Inhibition of serine hydrolases by ferrocene azaphosphonates
  73. An experimental charge density of HEPES
  74. Studies on Electronic Effects in O-, N- and S-Chelated Ruthenium Olefin-Metathesis Catalysts
  75. ChemInform Abstract: Consequences of Internal Solvation in the Gas Phase
  76. ChemInform Abstract: Superbases and Superacids in the Gas Phase
  77. X-ray, spectroscopic and computational studies of the tautomeric structure of a new hydrazone of 5-nitrosalicylaldehyde with indole-3-acetic hydrazide
  78. On the nature of the B⋯N interaction and the conformational flexibility of arylboronic azaesters
  79. Organometallic cyclic polyphenols derived from 1,2-(α-keto tri or tetra methylene) ferrocene show strong antiproliferative activity on hormone-independent breast cancer cells
  80. The Association of Surgery and Sclerotherapy in the Treatment of Severe Chronic Venous Insufficiency
  81. Experimental charge-density study of paracetamol – multipole refinement in the presence of a disordered methyl group
  82. Synthesis and crystallographic structure of boron derivatives of N-(2-hydroxy-naphthylmethyl)-L-proline
  83. PEGylated Nanoceria as Radical Scavenger with Tunable Redox Chemistry
  84. The bis(trifluoroacetate) analogue of the first-generation Grubbs catalyst: Synthesis, X-ray structure, and metathesis activity of [Ru(CF3CO2)(η2-CF3CO2)(CHPh)(PCy3)2]
  85. Towards the best model for H atoms in experimental charge-density refinement
  86. 1D vs 2D crystal architecture of hybrid inorganic–organic structures with benzidine dication
  87. ChemInform Abstract: Is the Hoveyda-Grubbs Complex a Vinylogous Fischer-Type Carbene? Aromaticity-Controlled Activity of Ruthenium Metathesis Catalysts.
  88. Unusual diastereoselective reduction of 2-propionyl-3,3′,4,4′-tetramethyl-1,1′-diphosphaferrocene to the corresponding alcohol by BH3·Me2S. X-Ray diffraction and DFT study
  89. New lacunar-type and pendant groups containing derivatives of β-unsubstituted dibenzotetraaza[14]annulenes—syntheses and crystal structures
  90. Ethanol-related death of a child: An unusual case report
  91. Bis‐ and Tris(tetraazamacrocyclic) Copper Complexes with Disulfide Linkers
  92. New Simple and Selective Synthesis of the Mesitylene[4]arene and its Crystal Structure
  93. Inorganic–organic hybrid salts of diaminobenzenes and related cations
  94. Structures of hybrid inorganic–organic salts with benzidine dication derivatives
  95. ChemInform Abstract: A Dormant Ruthenium Catalyst Bearing a Chelating Carboxylate Ligand: In situ Activation and Application in Metathesis Reactions.
  96. NMR and X-ray studies of 2,6-bis(alkylimino)phenol Schiff bases
  97. Magnetism and crystal structures of CuIIMnII and CuIINiII ordered bimetallic chains
  98. A Dormant Ruthenium Catalyst Bearing a Chelating Carboxylate Ligand: In Situ Activation and Application in Metathesis Reactions
  99. A Dormant Ruthenium Catalyst Bearing a Chelating Carboxylate Ligand: In Situ Activation and Application in Metathesis Reactions
  100. Electron paramagnetic study on radical scavenging properties of ceria nanoparticles
  101. From Proton Disorder to Proton Migration:  A Continuum in the Hydrogen Bond of a Proton Sponge in the Solid State
  102. New Chemical Method of Obtaining Thick Ga1-xMnxN Layers:  Prospective Spintronic Material
  103. Growth and structural properties of thick GaN layers obtained by sublimation sandwich method
  104. Probing of the Ligand Anatomy: Effects of the Chelating Alkoxy Ligand Modifications on the Structure and Catalytic Activity of Ruthenium Carbene Complexes
  105. Structural consequences of benzidine dihydrochloride substitution in the solid state
  106. Tuning the Properties of Neutral Tetraazamacrocyclic Complexes of Copper(II) and Nickel(II) for Use as Host–Guest Compounds with Bismacrocyclic Transition Metal Cations
  107. New air-stable ruthenium olefin metathesis precatalysts derived from bisphenol S
  108. Structural diversity of neutral bis-(β-iminoaldehyde) complexes of nickel(II)
  109. Growth of bulk Ga(Mn,Si)N single crystals
  110. Fine-Tuning of Properties of Bismacrocyclic Dinuclear Cyclidene Receptors byN-Methylation
  111. Continua of Interactions between Pairs of Atoms in Molecular Crystals
  112. X-ray Diffraction and Solid-State NMR Studies of a Germanium Binuclear Complex
  113. Structure and spectroscopic properties of (AA′)(BB′)O3mixed-perovskite crystals
  114. Hydrothermal synthesis, structural characterisation and magnetic behaviour of hybrid complexes of N-(phosphonomethyl)iminodiacetate
  115. Synthesis and structure of 3,4,5,6-tetrahydro-8-hydroxy-1H,6H-naphtho-[1,2-h]pyrrolo[2,1-e][1,3,6,2]dioxazaboronin-6-one dimer
  116. peri-Interactions in naphthalenes, 13 8-Dimethylamino-naphth-1-yl carbinols as model systems for potential N→Si/P interactions
  117. Factor Analysis of Deuterium Isotope Effects on13C NMR Chemical Shifts in Schiff Bases
  118. Detection of Intramolecular Interactions and Molecular Motion in Catenanes by Pulse Voltammetry Methods
  119. [Co(H2O)6]{[Co(C4H4N2)(H2O)2][V2O2(pmida)2]}·2H2O [H4pmida isN-(phosphonomethyl)iminodiacetic acid]: the first tw...
  120. Steric compression and twist in o-hydroxy acyl aromatics with intramolecular hydrogen bonding
  121. Unusual Anion−Anion Assembly inside a Macrocycle-Defined Channel in the Crystal Lattice
  122. Structural aspects of phase transition in pyrrole-2,5-dithioamide single crystals
  123. Preparation of Ga1−xMnxN bulk single crystals with c-axis parallel to dominant plane of platelets
  124. Corundum, Diamond, and PtS Metal-Organic Frameworks with a Difference: Self-Assembly of a Unique Pair of 3-ConnectingD2d-Symmetric 3,3?,5,5?-Tetrakis(4-pyridyl)bimesityl
  125. Crystal and molecular structure of 1α-hydroxylated analogs of vitamins D
  126. NMR and X-ray investigations of model tris- and bis-pyridinium fluoroborates
  127. Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium
  128. Synthesis, Structure and Binding Properties of Nickel and Copper [14]Cyclidene Complexes with Appended Aza Crown Ethers
  129. X-ray and 13C CP MAS investigations of structure of two genistein derivatives
  130. An Electrochemically Controlled Molecular Shuttle
  131. An Electrochemically Controlled Molecular Shuttle
  132. Neutral and ionic multiple hydrogen bonded moieties in crystal structure of a one tripodal Schiff base
  133. New alkoxycarbonyl derivatives of dibenzotetraaza[14]annulene. Crystal and molecular structure of [5,14-dihydro-7,16-diisopropoxycarbonyl-8,15-dimethyl-6,17-diphenyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato(2-)-κ4N]nickel(II)
  134. Intermetallic Interactions in Face-to-Face Homo- and Heterodinuclear Bismacrocyclic Complexes of Copper(II) and Nickel(II)
  135. Cobalt( III ) Tetraazamacrocyclic Complexes with Pendant Amino Groups: Synthesis, Structure and Electrochemical Properties
  136. From Weak Interactions to Covalent Bonds:  A Continuum in the Complexes of 1,8-Bis(dimethylamino)naphthalene
  137. Neutral and Ionic Hydrogen Bonding in Schiff Bases
  138. H-Bonding Dependent Structures of (NH4+)3H+(SO42-)2. Mechanisms of Phase Transitions
  139. Role of C?H���O hydrogen bonds in the ionic complexes of 1,8-bis(dimethylamino)naphthalene
  140. Charge Density Studies of Weak Interactions in Dipicrylamine
  141. X-ray diffraction and 13C solid-state NMR studies of the solvate of tetra(C-undecyl)calix[4]resorcinarene with dimethylacetamideElectronic supplementary information (ESI) available: Positional parameters, bond lengths and angles, and atomic displacemen...
  142. Synthesis, reactivity, crystal and molecular structure of [5,14-dihydro-7,16-bis(2-oxo-3H-furan-5-yl)-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato(2-)-κ4N]nickel(II)
  143. Correlation between structural parameters of colquiriite structures
  144. Novel [2]Catenane Structures Introducing Communication between Transition Metal Centers via π···π Interactions
  145. Charge Density Studies of Weak Interactions in Organic Solids
  146. Complexation behaviour of p-tert-butylcalix[4]arene and p-tert-butylcalix[6]arene towards acetone
  147. Structure and Nonadditive Voltammetric Properties of Face-to-Face Bismacrocyclic NiII Receptors in Complexes with Small Organic Guests
  148. ChemInform Abstract: Synthesis and Asymmetric Hydrogenation of 3,5-Dioxoheptanedioates. Preparation of Enantiomerically Pure Substituted δ-Valerolactones.
  149. Synthesis and asymmetric hydrogenation of 3,5-dioxoheptanedioates. Preparation of enantiomerically pure substituted δ-valerolactones
  150. Charge densities from high-resolution synchrotron X-ray diffraction experiments
  151. X-ray Diffraction and 13C Solid-State NMR Studies of the Dimethylformamide Solvate of Tetra(C-undecyl)calix[4]resorcinarene
  152. Correlation between structural parameters of garnet and garnet-like structures
  153. Cytidinium H-Phosphonate Monohydrate,bis2′-Deoxycytidinium H-Phosphonate and 2′-Deoxycytromium H-Phosphonate -Structures and Properties
  154. Solid-state NMR studies of alkali metal ion complexes of p-tertbutyl-calixarenes
  155. Charge Density Distribution in the “Proton Sponge” Compound 1,8-Bis(dimethylamino)naphthalene
  156. ESCA Studies of Yttrium Orthoaluminum Perovskites
  157. Hydrogen bonded Schiff bases; di-anil of 2-hydroxy-5-methyl-isophthaldehyde
  158. ESCA Studies of Yttrium Aluminum Garnets
  159. Consequences of Protonation of Diamines in the Gas Phase and the Solid State
  160. Crystal Structure Studies on the Garnet Y3Al5O12 by 27Al Single-Crystal NMR Spectroscopy
  161. Through-Resonance Assisted Ionic Hydrogen Bonding in 5-Nitro-N-salicylideneethylamine
  162. A Charge Density Analysis of Cationic and Anionic Hydrogen Bonds in a “Proton Sponge” Complex
  163. Ab initio calculation of and NMR shielding constants in solid acetylene
  164. ESCA studies of the coordination state of aluminium in oxide environments
  165. ESCA and Solid-State NMR Studies of Ionic Complexes of 1,8-Bis(dimethylamino)naphthalene
  166. ESCA, Solid-State NMR, and X-Ray Diffraction Studies of Perisubstituted Naphthalene Derivatives
  167. 13C → 1H Cross-Polarization NMR in Solids at Natural 13C Abundance
  168. Proton sponges: solid-state NMR spectra of ionic complexes of 1,8-bis(dimethylamino)naphthalene
  169. Influence of hydrogen bonding on the geometry of the adenine fragment
  170. Proton sponges: solid-state NMR spectra of ionic complexes of 1,8-bis(dimethylamino)naphthalene
  171. Influence of hydrogen bonding on the geometry of the adenine fragment
  172. ESCA, Solid-State NMR, and X-ray Diffraction Monitor the Hydrogen Bonding in a Complex of 1,8-Bis(dimethylamino)naphthalene with 1,2-Dichloromaleic Acid
  173. 14N nuclear quadrupole resonance studies of 1,8-bis(dimethylamino)naphthalene
  174. Structural Similarities and Differences between N-Phenylureas and N-Phenylthioureas
  175. 1H and 13C Solid-State NMR Studies of 1,8-Bis(dimethylamino)naphthalene and Its Complexes
  176. Intramolecular hydrogen bonding in N-salicylideneanilines. X-ray diffraction and solid-state NMR studies
  177. Attractive Inter- and Intramolecular N.cntdot..cntdot..cntdot.O Interactions in N,N-Dipicrylamine and Its Ionic Complexes
  178. Hydrogen bonding and the structure of substituted ureas: solid-state NMR, vibrational spectroscopy, and single-crystal x-ray diffraction studies
  179. Ab initio calculations of the 1H and 14N NMR shielding constants in solid ammonia
  180. Hydrogen bonding and the structure of substituted quinoxalines: solid-state NMR and single-crystal x-ray diffraction studies
  181. Basis set dependence, precision, and accuracy of fullab initiogradient optimizations of molecular structures of nonstrained hydrocarbons. I. CC bond lengths
  182. Crystallographic studies and physicochemical properties of π-electron systems