All Stories

  1. Structure of ice VII with Hirshfeld atom refinement
  2. Influence of modelling disorder on Hirshfeld atom refinement results of an organo-gold(I) compound
  3. HAR, TAAM and BODD refinements of model crystal structures using Cu Kα and Mo Kα X-ray diffraction data
  4. On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model
  5. Experimental charge density of grossular under pressure – a feasibility study
  6. Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket
  7. 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
  8. Doxycycline hydrate and doxycycline hydrochloride dihydrate – crystal structure and charge density analysis
  9. Yes, one can obtain better quality structures from routine X-ray data collection
  10. Applications of Hirshfeld surfaces to mineralogy: An example of alumohydrocalcite, and the classification of the dundasite group minerals
  11. Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics
  12. Synthesis, Structure, and Catalytic Activity of New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes
  13. Sunitinib: from charge-density studies to interaction with proteins
  14. Substituent and Solvent Effects on Intermolecular Interactions in Crystals of N-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies
  15. Influence of Fluorination and Boronic Group Synergy on the Acidity and Structural Behavior of o-Phenylenediboronic Acids
  16. Mechanistic Studies of Hoveyda–Grubbs Metathesis Catalysts Bearing S‐, Br‐, I‐, and N‐coordinating Naphthalene Ligands
  17. Formation of dilithiated bis-(1H-pyrazol-1-yl)alkanes and their application in the synthesis of diboronic acids
  18. Crystal Structure and Tautomerism of Capecitabine
  19. Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes
  20. A new class of pyrenyl solid-state emitters: 1-pyrenyl ynones. Synthesisviathe Friedel–Crafts route, molecular and electronic structure and photophysical properties
  21. Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments
  22. Synthesis and Crystal Structure of Anhydrous Analog of 1,25-Dihydroxyvitamin D3
  23. Synthesis and unusual ring transformation of 1-acyl-3-(ferrocenylmethylidene)-piperazine-2,5-diones
  24. Bis(L-serinium) oxalate dihydrate: polymorph II
  25. Synthesis and crystallographic study of 1,25-dihydroxyergocalciferol analogs
  26. Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices
  27. Dinuclear vanadium, copper, manganese and titanium complexes containing O,O,N-dichelating ligands: Synthesis, crystal structure and catalytic activity
  28. Synthesis, characterization and antiproliferative activity of β-aryl-δ-iodo-γ-lactones
  29. Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters
  30. Influence of the Silyl Group on the Reactivity of Some Ortho-Lithiated Aryl Alkyl Sulfides
  31. Testing New Ruthenium Complexes bearing Chiral 1,2,4-Triazol-5-ylidene ­Ligands as Catalysts for Asymmetric Olefin Metathesis
  32. Horse chestnut saponins as a source of new materials for exploratory medicinal chemistry
  33. ChemInform Abstract: Ruthenium Nitronate Complexes as Tunable Catalysts for Olefin Metathesis and Other Transformations.
  34. Preparation, Purification and Regioselective Functionalization of Protoescigenin—The Main Aglycone of Escin Complex
  35. The Influence of Boronate Groups on the Selectivity of the Br–Li Exchange in Model Dibromoaryl Boronates
  36. Substituent effect on benzylic lithiation of sulfides. Synthesis of diboronic acids derived from aryl–alkyl sulfides
  37. 3-Bromopyridine As a Sixth Ligand in Sulfoxide-Based Hoveyda Complexes: A Study on Catalytic Properties
  38. Physicochemical Characteristics of Sunitinib Malate and its Process-Related Impurities
  39. Ruthenium nitronate complexes as tunable catalysts for olefin metathesis and other transformations
  40. Stable ruthenium indenylidene complexes with a sterically reduced NHC ligand
  41. On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates
  42. N,N′-(Pyridine-2,6-diyl)dibenzamide
  43. Batchwise and Continuous Nanofiltration of POSS‐Tagged Grubbs–Hoveyda‐Type Olefin Metathesis Catalysts
  44. New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes
  45. ChemInform Abstract: Stability of Some Aryllithiums in the Presence of Cyano Group: Synthesis of Biaromatic Cyanoarylboronic Acids and Silanes.
  46. Catalytic and Structural Studies of Hoveyda–Grubbs Type Pre‐Catalysts Bearing Modified Ether Ligands
  47. ChemInform Abstract: Synthesis of Functionalized Diarylborinic 8‐Oxyquinolates via Bimetallic Boron—Lithium Intermediates.
  48. Solid State Structural Variations in Copper(II) Complexes of Open-Chain and Macrocyclic Malonamide-Derived Ligands
  49. A simple and efficient synthesis of boron–imidazole macrocycles and their crystal structures
  50. Flexible Mono‐ and Bis‐tetraazamacrocyclic Complexes of Copper and Nickel Stabilizing Different Oxidation States
  51. Synthesis of functionalized diarylborinic 8-oxyquinolates via bimetallic boron–lithium intermediates
  52. Differences in Charge Density Distribution and Stability of Two Polymorphs of Benzidine Dihydrochloride
  53. Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids
  54. Stability of some aryllithiums in the presence of cyano group: synthesis of biaromatic cyanoarylboronic acids and silanes
  55. Correction to Thermal Switchability of N-Chelating Hoveyda-type Catalyst Containing a Secondary Amine Ligand
  56. From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives
  57. Ruthenium–Amido Complexes: Synthesis, Structure, and Catalytic Activity in Olefin Metathesis
  58. Controlled Crystallization, Structure, and Molecular Properties of Iodoacetylamphotericin B
  59. On the Directing Effect of Boronate Groups in the Lithiation of Boronated Thiophenes
  60. Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry
  61. Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies
  62. Electronic and molecular structures and bulk second–order nonlinear optical properties of ferrocenyl ynones
  63. 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
  64. ChemInform Abstract: Functionalization of Some Benzylthioarylboronic Acids by Benzylic Lithiation of Their N‐Butyldiethanolamine Esters or Lithium(triisopropoxy)borates.
  65. Thermal Switchability of N-Chelating Hoveyda-type Catalyst Containing a Secondary Amine Ligand
  66. Aerobic Fujiwara–Moritani alkenylation and dienylation of ferrocene
  67. The Doping Effect of Fluorinated Aromatic Solvents on the Rate of Ruthenium‐Catalysed Olefin Metathesis
  68. Macrocyclic Multicenter Complexes of Nickel and Copper of Increasing Complexity
  69. Functionalization of some benzylthioarylboronic acids by benzylic lithiation of their N‐butyldiethanolamine esters or lithium (triisopropoxy)borates
  70. On the nature of Ni⋯Ni interaction in a model dimeric Ni complex
  71. Hydrogen bonding in Schiff bases – NMR, structural and experimental charge density studies
  72. The Role of the C–H···π Interactions in the Cyclisation Reactions Leading to New Aryl‐Bridged Tetraazamacrocyclic Complexes of Copper and Nickel
  73. Novel ferrocenyl phosphonate derivatives. Inhibition of serine hydrolases by ferrocene azaphosphonates
  74. Studies on Electronic Effects in O‐, N‐ and S‐Chelated Ruthenium Olefin‐Metathesis Catalysts
  75. An experimental charge density of HEPES
  76. X-ray, spectroscopic and computational studies of the tautomeric structure of a new hydrazone of 5-nitrosalicylaldehyde with indole-3-acetic hydrazide
  77. On the nature of the B⋯N interaction and the conformational flexibility of arylboronic azaesters
  78. Organometallic cyclic polyphenols derived from 1,2-(α-keto tri or tetra methylene) ferrocene show strong antiproliferative activity on hormone-independent breast cancer cells
  79. The Association of Surgery and Sclerotherapy in the Treatment of Severe Chronic Venous Insufficiency
  80. Experimental charge-density study of paracetamol – multipole refinement in the presence of a disordered methyl group
  81. Synthesis and crystallographic structure of boron derivatives of N-(2-hydroxy-naphthylmethyl)-L-proline
  82. PEGylated Nanoceria as Radical Scavenger with Tunable Redox Chemistry
  83. 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]
  84. Towards the best model for H atoms in experimental charge-density refinement
  85. 1D vs 2D crystal architecture of hybrid inorganic–organic structures with benzidine dication
  86. 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
  87. ChemInform Abstract: Is the Hoveyda—Grubbs Complex a Vinylogous Fischer‐Type Carbene? Aromaticity‐Controlled Activity of Ruthenium Metathesis Catalysts.
  88. New lacunar-type and pendant groups containing derivatives of β-unsubstituted dibenzotetraaza[14]annulenes—syntheses and crystal structures
  89. Ethanol-related death of a child: An unusual case report
  90. Bis‐ and Tris(tetraazamacrocyclic) Copper Complexes with Disulfide Linkers
  91. New Simple and Selective Synthesis of the Mesitylene[4]arene and its Crystal Structure
  92. Inorganic–organic hybrid salts of diaminobenzenes and related cations
  93. Structures of hybrid inorganic–organic salts with benzidine dication derivatives
  94. ChemInform Abstract: A Dormant Ruthenium Catalyst Bearing a Chelating Carboxylate Ligand: In situ Activation and Application in Metathesis Reactions.
  95. NMR and X-ray studies of 2,6-bis(alkylimino)phenol Schiff bases
  96. Magnetism and crystal structures of CuIIMnII and CuIINiII ordered bimetallic chains
  97. A Dormant Ruthenium Catalyst Bearing a Chelating Carboxylate Ligand: In Situ Activation and Application in Metathesis Reactions
  98. A Dormant Ruthenium Catalyst Bearing a Chelating Carboxylate Ligand: In Situ Activation and Application in Metathesis Reactions
  99. Electron paramagnetic study on radical scavenging properties of ceria nanoparticles
  100. From Proton Disorder to Proton Migration:  A Continuum in the Hydrogen Bond of a Proton Sponge in the Solid State
  101. New Chemical Method of Obtaining Thick Ga1-xMnxN Layers:  Prospective Spintronic Material
  102. Growth and structural properties of thick GaN layers obtained by sublimation sandwich method
  103. Probing of the Ligand Anatomy: Effects of the Chelating Alkoxy Ligand Modifications on the Structure and Catalytic Activity of Ruthenium Carbene Complexes
  104. Structural consequences of benzidine dihydrochloride substitution in the solid state
  105. Tuning the Properties of Neutral Tetraazamacrocyclic Complexes of Copper(II) and Nickel(II) for Use as Host–Guest Compounds with Bismacrocyclic Transition Metal Cations
  106. New air-stable ruthenium olefin metathesis precatalysts derived from bisphenol S
  107. Structural diversity of neutral bis-(β-iminoaldehyde) complexes of nickel(II)
  108. Growth of bulk Ga(Mn,Si)N single crystals
  109. Fine‐Tuning of Properties of Bismacrocyclic Dinuclear Cyclidene Receptors by N‐Methylation
  110. Continua of Interactions between Pairs of Atoms in Molecular Crystals
  111. X‐ray Diffraction and Solid‐State NMR Studies of a Germanium Binuclear Complex
  112. Structure and spectroscopic properties of (AA′)(BB′)O3mixed-perovskite crystals
  113. Hydrothermal synthesis, structural characterisation and magnetic behaviour of hybrid complexes of N-(phosphonomethyl)iminodiacetate
  114. 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
  115. peri-Interactions in naphthalenes, 13 8-Dimethylamino-naphth-1-yl carbinols as model systems for potential N→Si/P interactions
  116. Detection of Intramolecular Interactions and Molecular Motion in Catenanes by Pulse Voltammetry Methods
  117. [Co(H2O)6]{[Co(C4H4N2)(H2O)2][V2O2(pmida)2]}·2H2O [H4pmida isN-(phosphonomethyl)iminodiacetic acid]: the first tw...
  118. Factor Analysis of Deuterium Isotope Effects on 13C NMR Chemical Shifts in Schiff Bases
  119. Steric compression and twist in o-hydroxy acyl aromatics with intramolecular hydrogen bonding
  120. Unusual Anion−Anion Assembly inside a Macrocycle-Defined Channel in the Crystal Lattice
  121. Structural aspects of phase transition in pyrrole‐2,5‐dithioamide single crystals
  122. Preparation of Ga1−xMnxN bulk single crystals with c-axis parallel to dominant plane of platelets
  123. Corundum, Diamond, and PtS Metal–Organic Frameworks with a Difference: Self‐Assembly of a Unique Pair of 3‐Connecting D2d‐Symmetric 3,3′,5,5′‐Tetrakis(4‐pyridyl)bimesityl
  124. Crystal and molecular structure of 1α-hydroxylated analogs of vitamins D
  125. NMR and X-ray investigations of model tris- and bis-pyridinium fluoroborates
  126. Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium
  127. Synthesis, Structure and Binding Properties of Nickel and Copper [14]Cyclidene Complexes with Appended Aza Crown Ethers
  128. X-ray and 13C CP MAS investigations of structure of two genistein derivatives
  129. An Electrochemically Controlled Molecular Shuttle
  130. An Electrochemically Controlled Molecular Shuttle
  131. Neutral and ionic multiple hydrogen bonded moieties in crystal structure of a one tripodal Schiff base
  132. 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)
  133. Role of CH···O hydrogen bonds in the ionic complexes of 1,8‐bis(dimethylamino)naphthalene
  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. Charge Density Studies of Weak Interactions in Dipicrylamine
  140. 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...
  141. 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)
  142. Correlation between structural parameters of colquiriite structures
  143. Novel [2]Catenane Structures Introducing Communication between Transition Metal Centers via π···π Interactions
  144. Charge Density Studies of Weak Interactions in Organic Solids
  145. Complexation behaviour of p-tert-butylcalix[4]arene and p-tert-butylcalix[6]arene towards acetone
  146. Structure and Nonadditive Voltammetric Properties of Face-to-Face Bismacrocyclic NiIIReceptors in Complexes with Small Organic Guests
  147. ChemInform Abstract: Synthesis and Asymmetric Hydrogenation of 3,5‐Dioxoheptanedioates. Preparation of Enantiomerically Pure Substituted δ‐Valerolactones.
  148. ChemInform Abstract: Superbases and Superacids in the Gas Phase
  149. ChemInform Abstract: Consequences of Internal Solvation in the Gas Phase
  150. Synthesis and asymmetric hydrogenation of 3,5-dioxoheptanedioates. Preparation of enantiomerically pure substituted δ-valerolactones
  151. Charge densities from high-resolution synchrotron X-ray diffraction experiments
  152. X-ray Diffraction and 13C Solid-State NMR Studies of the Dimethylformamide Solvate of Tetra(C-undecyl)calix[4]resorcinarene
  153. Correlation between structural parameters of garnet and garnet-like structures
  154. Cytidinium H-Phosphonate Monohydrate,bis2′-Deoxycytidinium H-Phosphonate and 2′-Deoxycytromium H-Phosphonate -Structures and Properties
  155. Solid-state NMR studies of alkali metal ion complexes of p-tertbutyl-calixarenes
  156. Charge Density Distribution in the “Proton Sponge” Compound 1,8-Bis(dimethylamino)naphthalene
  157. ESCA Studies of Yttrium Orthoaluminum Perovskites
  158. Hydrogen bonded Schiff bases; di-anil of 2-hydroxy-5-methyl-isophthaldehyde
  159. ESCA Studies of Yttrium Aluminum Garnets
  160. Consequences of Protonation of Diamines in the Gas Phase and the Solid State
  161. Crystal Structure Studies on the Garnet Y3Al5O12 by 27Al Single-Crystal NMR Spectroscopy
  162. Through-Resonance Assisted Ionic Hydrogen Bonding in 5-Nitro-N-salicylideneethylamine
  163. A Charge Density Analysis of Cationic and Anionic Hydrogen Bonds in a “Proton Sponge” Complex
  164. Ab initio calculation of and NMR shielding constants in solid acetylene
  165. ESCA studies of the coordination state of aluminium in oxide environments
  166. ESCA and Solid-State NMR Studies of Ionic Complexes of 1,8-Bis(dimethylamino)naphthalene
  167. ESCA, Solid-State NMR, and X-Ray Diffraction Studies of Perisubstituted Naphthalene Derivatives
  168. 13C → 1H Cross-Polarization NMR in Solids at Natural 13C Abundance
  169. Proton sponges: solid-state NMR spectra of ionic complexes of 1,8-bis(dimethylamino)naphthalene
  170. Influence of hydrogen bonding on the geometry of the adenine fragment
  171. Proton sponges: solid-state NMR spectra of ionic complexes of 1,8-bis(dimethylamino)naphthalene
  172. Influence of hydrogen bonding on the geometry of the adenine fragment
  173. 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
  174. 14N nuclear quadrupole resonance studies of 1,8-bis(dimethylamino)naphthalene
  175. Structural Similarities and Differences between N-Phenylureas and N-Phenylthioureas
  176. 1H and 13C Solid-State NMR Studies of 1,8-Bis(dimethylamino)naphthalene and Its Complexes
  177. Intramolecular hydrogen bonding in N-salicylideneanilines. X-ray diffraction and solid-state NMR studies
  178. Attractive Inter- and Intramolecular N.cntdot..cntdot..cntdot.O Interactions in N,N-Dipicrylamine and Its Ionic Complexes
  179. Hydrogen bonding and the structure of substituted ureas: solid-state NMR, vibrational spectroscopy, and single-crystal x-ray diffraction studies
  180. Ab initio calculations of the 1H and 14N NMR shielding constants in solid ammonia
  181. Hydrogen bonding and the structure of substituted quinoxalines: solid-state NMR and single-crystal x-ray diffraction studies
  182. Basis set dependence, precision, and accuracy of full ab initio gradient optimizations of molecular structures of nonstrained hydrocarbons. I. CC bond lengths
  183. Crystallographic studies and physicochemical properties of π-electron systems