All Stories

  1. From liquid to crystal via mechanochemical grinding: unique host–guest (HOF) cocrystal
  2. Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates
  3. 4-Aryl-1,4-Dihydropyridines as Potential Enoyl-Acyl Carrier Protein Reductase Inhibitors: Antitubercular Activity and Molecular Docking Study
  4. Structural investigation of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
  5. Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
  6. Structural investigation of methyl 3-(4-fluorobenzoyl)-7-methyl-2-phenylindolizine-1-carboxylate, an inhibitory drug towards Mycobacterium tuberculosis
  7. Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride
  8. Synthesis and Structural Elucidation of Novel Benzothiazole Derivatives as Anti-tubercular Agents: In-silico Screening for Possible Target Identification
  9. Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative
  10. Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules
  11. Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF3 and halogen (Cl or Br or I) substituted benzamides
  12. Larvicidal study of tetrahydropyrimidine scaffolds against Anopheles arabiensis and structural insight by single crystal X-ray studies
  13. Crystal structure analysis of [5-(4-methoxyphenyl)-2-methyl-2H-1,2,3-triazol-4-yl](thiophen-2-yl)methanone
  14. Similarities and differences in the crystal packing of halogen-substituted indole derivatives
  15. Efficient Synthesis and Characterization of Novel Substituted 3-Benzoylindolizine Analogues via the Cyclization of Aromatic Cycloimmoniumylides with Electrondeficient Alkenes
  16. Crystal packing analysis of in situ cryocrystallized 2,2,2-trifluoroacetophenone
  17. Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones
  18. Molecular modeling studies and anti-TB activity of trisubstituted indolizine analogues; molecular docking and dynamic inputs
  19. Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state
  20. Design, synthesis, and characterization of (1-(4-aryl)-1H-1,2,3-triazol-4-yl)methyl, substituted phenyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates against Mycobacterium tuberculosis
  21. Crystal structure landscape of conformationally flexible organo-fluorine compounds
  22. Crystallographic and computational investigation of intermolecular interactions involving organic fluorine with relevance to the hybridization of the carbon atom
  23. Understanding of Noncovalent Interactions Involving Organic Fluorine
  24. N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide
  25. Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides
  26. The art of in situ cryocrystallization
  27. Revealing the Polarizability of Organic Fluorine in the Trifluoromethyl Group: Implications in Supramolecular Chemistry
  28. Computational Study of the Formation of Short Centrosymmetric N–H···S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles
  29. Quantitative Insights into the Crystal Structures of Nitro Derivatives of Ethyl (2E)-2-cyano-3-phenylprop-2-enoate: Inputs from X-Ray Diffraction, DFT Calculations and Hirshfeld Surface Analysis
  30. Analysis of intermolecular interactions in 3-(4-fluoro-3-phenoxyphenyl)-1-((4-methylpiperazin-1-yl)methyl)-1H-1,2,4-triazole-5-thiol
  31. Role of Polymorphism in Materials Science
  32. Exploration of polymorphism in drugs
  33. Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals
  34. Quantitative Analysis of Intermolecular Interactions in 7-Hydroxy-4-methyl-2H-chromen-2-one and Its Hydrate
  35. Quantitative Evaluation of C–H···O and C–H···π Intermolecular Interactions in Ethyl-3-benzyl-1-methyl-2-oxoindoline-3-carboxylate and 3-Methyl-but-2-en-1-yl-1,3-dimethyl-2-oxoindoline-3-carboxylate: Insights from PIXEL and Hirshfeld Analysis
  36. Design and synthesis of cyclic depsipeptides containing triazole (CDPT) rings
  37. Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles
  38. Quantitative Crystal Structure Analysis of (E)-1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
  39. Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives
  40. Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides
  41. Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols
  42. Structural Investigation of Weak Intermolecular Interactions in Fluorine Substituted Isomeric N-Benzylideneanilines
  43. Surprises in Crystal Chemistry of Sugars
  44. Advances in Understanding of Chemical Bonding: Inputs from Experimental and Theoretical Charge Density Analysis
  45. ChemInform Abstract: Role of Fluorine in Weak Interactions in Co-crystals
  46. Synthesis and an Evaluation of Molecular Conformation and Crystal Packing in Two Substituted 4-Phenylquinolines
  47. ChemInform Abstract: Is Organic Fluorine Really “Not” Polarizable?
  48. Is Organic Fluorine Really “Not” Polarizable?
  49. Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides
  50. Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides
  51. Role of Fluorine in Weak Interactions in Co-crystals
  52. Role of Hetero-Halogen (F···X, X = Cl, Br, and I) or Homo-Halogen (X···X, X = F, Cl, Br, and I) Interactions in Substituted Benzanilides
  53. ChemInform Abstract: Cu-Catalyzed Efficient Synthetic Methodology for Ebselen and Related Se-N Heterocycles.
  54. Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates
  55. Role of organic fluorine in crystal engineering
  56. Cu-Catalyzed Efficient Synthetic Methodology for Ebselen and Related Se−N Heterocycles
  57. N-(X-Methylphenyl)-2-{(Z)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, whereX= 2 and 3
  58. Synthesis and characterization of metal substituted AlxCr1−x(acetylacetonate)3 single-source precursors for their application to MOCVD of thin films
  59. Tetrakis-μ-L-alanine-κ8O:O′-bis[tetraaquaterbium(III)] hexaperchlorate. Corrigendum
  60. Crystalline ethane-1,2-diol does not have intra-molecular hydrogen bonding: Experimental and theoretical charge density studies
  61. Tetrakis-μ-L-alanine-κ8O:O′-bis[tetraaquaterbium(III)] hexaperchlorate
  62. Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates
  63. 17α-Estradiol·1/2 H2O: Super-Structural Ordering, Electronic Properties, Chemical Bonding, and Biological Activity in Comparison with Other Estrogens
  64. Chemical Bonding and Structure−Reactivity Correlation in Meldrum’s Acid: A Combined Experimental and Theoretical Electron Density Study
  65. Analysis of weak interactions involving organic fluorine: Insights from packing features in substituted 4-keto-tetrahydroindoles
  66. Synthesis, structure and characterization of fac-[Re(CO)3]+ complexes derived from hydrazone Schiff bases: DFT–TDDFT investigation on electronic structures
  67. Binuclear Copper(II) Complexes with N 4 O 3 Coordinating Heptadentate Ligand: Synthesis, Structure, Magnetic Properties, Density-Functional Theory Study, and Catecholase Activity
  68. Disorder Induced Concomitant Polymorphism in 3-Fluoro-N-(3-fluorophenyl)benzamide
  69. 2-[(E)-(4-Hydroxy-3-methoxybenzylidene)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  70. Strength vs. Accessibility: Unraveling the Patterns of Self-Recognition in a Conformationally Locked Amino Alcohol
  71. Strength vs. Accessibility: Unraveling the Patterns of Self-Recognition in a Conformationally Locked Amino Alcohol (Eur. J. Org. Chem. 5/2008)
  72. Mixed bridged dinuclear Ni(II) complexes: synthesis, structure, magnetic properties and DFT study
  73. Evaluation of the interchangeability of C–H and C–F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides
  74. RhCl 3 -Assisted C−H and C−S Bond Scissions:  Isomeric Self-Association of Organorhodium(III) Thiolato Complex. Synthesis, Structure, and Electrochemistry
  75. Chemistry of 1-Fluoro-2,3,4-triphenylcyclobutadiene Dimers
  76. Four substituted pyrazolines
  77. 6-Bromo-3-(dibromoacetyl)-2H-chromen-2-one
  78. A series of substituted (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones
  79. trans-1,2-Difluoro-3,4,5,6,7,8-hexaphenyltricyclo[4.2.0.02,5]octa-3,7-diene
  80. (2E)-Methyl 2-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate
  81. 4-Methyl-2,6-bis(2-naphthylmethylene)cyclohexan-1-one
  82. (2Z,3E)-2,3-Bis(2-thienylmethylene)succinic acid methanol hemisolvate
  83. The generalized anomeric effect in the 1,3-thiazolidines: Evidence for both sulphur and nitrogen as electron donors. Crystal structures of various N-acylthiazolidines including mercury(II) complexes. Possible relevance to penicillin action
  84. 3-Dibromoacetyl-2H-chromen-2-one
  85. (5S)-1,4-Bis{[(1E)-4-methylbenzylidene]amino}-5-(thien-2-yl)pyrrolidin-2-one
  86. Variability in Halogen Interactions:  In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones
  87. 4,5-Dimethyl-N-(2-methylphenyl)-2-{[(1E)-(3,4,5-trimethoxyphenyl)methylene]amino}thiophene-3-carboxamide
  88. N-(2-{[(2E)-2-(2-Hydroxybenzylidene)hydrazino]carbonyl}phenyl)benzamide
  89. A Ferromagnetically Coupled, Bent, Trinuclear Copper(II) Complex: Synthesis, Structure, Hydrogen-Bonding Network, Magnetic Properties and DNA Interaction Study
  90. Pointers toward the Occurrence of C−F···F−C Interaction:  Experimental Charge Density Analysis of 1-(4-Fluorophenyl)-3,6,6-trimethyl-2-phenyl-1,5,6,7-tetrahydro-4 H- indol-4-one and 1-(4-Fluorophenyl)-6-methoxy-2-phenyl-1,2,3,4-tetrahydroisoquinoline
  91. 5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydroisoxazole
  92. 5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole
  93. 3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one. Corrigendum
  94. Binuclear μ1,1-N3 and O–H⋯O bridged nickel(II) complex with a N3O chelating agent: Synthesis, structure and magnetic properties
  95. 4-Fluoro-N′-(4-fluoro-3-phenoxybenzoyl)-3-phenoxybenzohydrazide
  96. 3-(4-Fluoro-3-phenoxyphenyl)-5-(4-methoxyphenyl)isoxazole
  97. 1-Acetyl-3-(4-chlorophenyl)-5-(4-fluoro-3-phenoxyphenyl)-1H-pyrazole
  98. 6-(4-Chlorophenyl)-4-(4-fluoro-3-phenoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile
  99. 3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one
  100. Solvatomorphism in 3-Fluorobenzoylaminophenyl 3-Fluorobenzoate: A Subtle Interplay of Strong Hydrogen Bonds and Weak Intermolecular Interactions Involving Disordered Fluorine
  101. 3-Acetyl-6-chloro-2H-chromen-2-one
  102. 1-[1-(4-Fluorophenyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl]ethanone
  103. Binuclear Mixed Valence Oxovanadium(IV/V) Complexes Containing a [OVIV(μ-Ooxo)(μ-Ophen)VVO]2+ Core: Synthesis, EPR Spectra, Molecular and Electronic Structure
  104. In Situ Cryo-Crystallization of Fluorinated Amines:  A Comparative Study of Cooperative Intermolecular Interactions Involving Ordered and Disordered Fluorine
  105. Amido binding to ReO3+ core: Synthesis, structure and intermolecular interactions
  106. 5-Benzyl-1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
  107. Competing Magnetic Interactions in a Dinuclear Ni(II) Complex:  Antiferromagnetic O−H···O Moiety and Ferromagnetic N 3 - Ligand
  108. 2,6-Bis(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid
  109. 4-Fluoro-3-phenoxybenzoic acid
  110. 1-(4-Chlorophenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
  111. 1-(4-Chlorobenzyl)-6,6-dimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one
  112. Poly[bis(benzotriazolato)di-μ-oxo-dilead(II)]
  113. Polymorphism in 1-(4-Fluorophenyl)-3,6,6-trimethyl-2- phenyl-1,5,6,7-tetrahydro-4H-indol-4-one:  A Subtle Interplay of Weak Intermolecular Interactions
  114. 6-tert-Butyl-4-isopropylideneamino-3-methylsulfanyl-1,2,4-triazin-5(4H)-one
  115. Oscillation of spontaneously generated optical activity in (±)-1-(p-nitrobenzoyloxy)indane solutions: ‘serial SN2 reactions’ in aggregates supported by the crystal structure. Frozen SN2 transition states and enantioselective distortions
  116. Synthesis and crystal structure of M(hmt)2(H2O)6(NO3)2.4H2O complexes, where M=Mn2+, Co2+
  117. Synthesis, characterization and structure of [Ni(H2O)6]2(Cr2O7)2(hmta)4·2H2O (hmta=hexamethylenetetramine): a novel metal organic–inorganic hybrid
  118. Family of Mixed-Valence Oxovanadium(IV/V) Dinuclear Entities Incorporating N4O3-Coordinating Heptadentate Ligands:  Synthesis, Structure, and EPR Spectra
  119. Two Biologically Active Thiophene-3-carboxamide Derivatives.
  120. Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions
  121. Diisopropyl (1,3-dithiolan-2-ylidene)malonate
  122. N-[(9E)-2-Chloro-9-thia-9H-xanthen-9-ylidene]-N-(4-fluorophenyl)amine
  123. Methyl 2(E)-methoxyimino-2-[2-(2-methylphenoxymethyl)phenyl]acetate
  124. 2-(1,1,2,2-Tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
  125. 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (hexaconazole)
  126. (4E)-3-[(2-Chloro-4,5-dihydro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine (thiamethaxam)
  127. (2E)-1-[(6-Chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine (imidachloprid)
  128. Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl]-1-methyl-1H-pyrazole-4-carboxylate
  129. N-(3-Fluorophenyl)-9H-xanthen-9-ylideneamine
  130. (E)-N1-[(6-Chloropyridin-3-yl)methyl]-N2-cyano-N1-methylacetamidine
  131. 4-(2-Methylprop-2-enyl)-1-[3-(trifluoromethyl)phenyl]thiosemicarbazide
  132. N-Phenylethyl-N'-[3-(trifluoromethyl)phenyl]thiourea
  133. 2-[(E)-(4-Chlorophenyl)methyleneamino]-N-(X-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, whereX= 2 and 3
  134. Methyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  135. 2-(Acetamido)-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
  136. Two biologically active thiophene-3-carboxamide derivatives
  137. 2-Amino-N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  138. 3-Amino-2-methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one
  139. Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  140. Methyl 2-{[(2E)-3-phenylprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  141. Hexaaquamanganese(II) dinitrate bis(hexamethylenetetramine) tetrahydrate
  142. 2-Amino-N-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
  143. A family of oxorhenium(v) complexes incorporating chelated monoanionic ONN reduced Schiff base and dianionic ONNO tetradentate ligands: synthesis, spectroscopic and electrochemical studies
  144. Hexaaquanickel(II) dichromate bis(hexamethylenetetramine) monohydrate
  145. Ethyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
  146. 3,4-Dimethoxyphenylacetic acid