All Stories

  1. Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1H)-one
  2. From liquid to crystal via mechanochemical grinding: unique host–guest (HOF) cocrystal
  3. Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates
  4. 4-Aryl-1,4-Dihydropyridines as Potential Enoyl-Acyl Carrier Protein Reductase Inhibitors: Antitubercular Activity and Molecular Docking Study
  5. Structural investigation of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
  6. 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
  7. Structural investigation of methyl 3-(4-fluorobenzoyl)-7-methyl-2-phenylindolizine-1-carboxylate, an inhibitory drug towards Mycobacterium tuberculosis
  8. Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride
  9. Synthesis and Structural Elucidation of Novel Benzothiazole Derivatives as Anti-tubercular Agents: In-silico Screening for Possible Target Identification
  10. Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative
  11. Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules
  12. 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
  13. Larvicidal study of tetrahydropyrimidine scaffolds against Anopheles arabiensis and structural insight by single crystal X-ray studies
  14. Crystal structure analysis of [5-(4-methoxyphenyl)-2-methyl-2H-1,2,3-triazol-4-yl](thiophen-2-yl)methanone
  15. Similarities and differences in the crystal packing of halogen-substituted indole derivatives
  16. Efficient Synthesis and Characterization of Novel Substituted 3-Benzoylindolizine Analogues via the Cyclization of Aromatic Cycloimmoniumylides with Electrondeficient Alkenes
  17. Crystal packing analysis of in situ cryocrystallized 2,2,2-trifluoroacetophenone
  18. Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones
  19. Molecular modeling studies and anti-TB activity of trisubstituted indolizine analogues; molecular docking and dynamic inputs
  20. Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state
  21. 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
  22. Crystal structure landscape of conformationally flexible organo-fluorine compounds
  23. Crystallographic and computational investigation of intermolecular interactions involving organic fluorine with relevance to the hybridization of the carbon atom
  24. Understanding of Noncovalent Interactions Involving Organic Fluorine
  25. N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide
  26. Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides
  27. The art of in situ cryocrystallization
  28. Revealing the Polarizability of Organic Fluorine in the Trifluoromethyl Group: Implications in Supramolecular Chemistry
  29. Computational Study of the Formation of Short Centrosymmetric N–H···S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles
  30. 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
  31. Analysis of intermolecular interactions in 3-(4-fluoro-3-phenoxyphenyl)-1-((4-methylpiperazin-1-yl)methyl)-1H-1,2,4-triazole-5-thiol
  32. Role of Polymorphism in Materials Science
  33. Exploration of polymorphism in drugs
  34. Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals
  35. Quantitative Analysis of Intermolecular Interactions in 7-Hydroxy-4-methyl-2H-chromen-2-one and Its Hydrate
  36. 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
  37. Design and synthesis of cyclic depsipeptides containing triazole (CDPT) rings
  38. Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles
  39. Quantitative Crystal Structure Analysis of (E)-1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
  40. Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives
  41. Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides
  42. Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols
  43. Structural Investigation of Weak Intermolecular Interactions in Fluorine Substituted Isomeric N-Benzylideneanilines
  44. Surprises in Crystal Chemistry of Sugars
  45. Advances in Understanding of Chemical Bonding: Inputs from Experimental and Theoretical Charge Density Analysis
  46. ChemInform Abstract: Role of Fluorine in Weak Interactions in Co-crystals
  47. Synthesis and an Evaluation of Molecular Conformation and Crystal Packing in Two Substituted 4-Phenylquinolines
  48. ChemInform Abstract: Is Organic Fluorine Really “Not” Polarizable?
  49. Is Organic Fluorine Really “Not” Polarizable?
  50. Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides
  51. Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides
  52. Role of Fluorine in Weak Interactions in Co-crystals
  53. 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
  54. ChemInform Abstract: Cu-Catalyzed Efficient Synthetic Methodology for Ebselen and Related Se-N Heterocycles.
  55. 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
  56. Role of organic fluorine in crystal engineering
  57. Cu-Catalyzed Efficient Synthetic Methodology for Ebselen and Related Se−N Heterocycles
  58. N-(X-Methylphenyl)-2-{(Z)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, whereX= 2 and 3
  59. Synthesis and characterization of metal substituted AlxCr1−x(acetylacetonate)3 single-source precursors for their application to MOCVD of thin films
  60. Tetrakis-μ-L-alanine-κ8O:O′-bis[tetraaquaterbium(III)] hexaperchlorate. Corrigendum
  61. Crystalline ethane-1,2-diol does not have intra-molecular hydrogen bonding: Experimental and theoretical charge density studies
  62. Tetrakis-μ-L-alanine-κ8O:O′-bis[tetraaquaterbium(III)] hexaperchlorate
  63. 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
  64. 17α-Estradiol·1/2 H2O: Super-Structural Ordering, Electronic Properties, Chemical Bonding, and Biological Activity in Comparison with Other Estrogens
  65. Chemical Bonding and Structure−Reactivity Correlation in Meldrum’s Acid: A Combined Experimental and Theoretical Electron Density Study
  66. Analysis of weak interactions involving organic fluorine: Insights from packing features in substituted 4-keto-tetrahydroindoles
  67. Synthesis, structure and characterization of fac-[Re(CO)3]+ complexes derived from hydrazone Schiff bases: DFT–TDDFT investigation on electronic structures
  68. Binuclear Copper(II) Complexes with N 4 O 3 Coordinating Heptadentate Ligand: Synthesis, Structure, Magnetic Properties, Density-Functional Theory Study, and Catecholase Activity
  69. Disorder Induced Concomitant Polymorphism in 3-Fluoro-N-(3-fluorophenyl)benzamide
  70. 2-[(E)-(4-Hydroxy-3-methoxybenzylidene)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  71. Strength vs. Accessibility: Unraveling the Patterns of Self-Recognition in a Conformationally Locked Amino Alcohol
  72. Strength vs. Accessibility: Unraveling the Patterns of Self-Recognition in a Conformationally Locked Amino Alcohol (Eur. J. Org. Chem. 5/2008)
  73. Mixed bridged dinuclear Ni(II) complexes: synthesis, structure, magnetic properties and DFT study
  74. Evaluation of the interchangeability of C–H and C–F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides
  75. RhCl 3 -Assisted C−H and C−S Bond Scissions:  Isomeric Self-Association of Organorhodium(III) Thiolato Complex. Synthesis, Structure, and Electrochemistry
  76. Chemistry of 1-Fluoro-2,3,4-triphenylcyclobutadiene Dimers
  77. Four substituted pyrazolines
  78. 6-Bromo-3-(dibromoacetyl)-2H-chromen-2-one
  79. A series of substituted (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones
  80. trans-1,2-Difluoro-3,4,5,6,7,8-hexaphenyltricyclo[4.2.0.02,5]octa-3,7-diene
  81. (2E)-Methyl 2-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate
  82. 4-Methyl-2,6-bis(2-naphthylmethylene)cyclohexan-1-one
  83. (2Z,3E)-2,3-Bis(2-thienylmethylene)succinic acid methanol hemisolvate
  84. 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
  85. 3-Dibromoacetyl-2H-chromen-2-one
  86. (5S)-1,4-Bis{[(1E)-4-methylbenzylidene]amino}-5-(thien-2-yl)pyrrolidin-2-one
  87. Variability in Halogen Interactions:  In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones
  88. 4,5-Dimethyl-N-(2-methylphenyl)-2-{[(1E)-(3,4,5-trimethoxyphenyl)methylene]amino}thiophene-3-carboxamide
  89. N-(2-{[(2E)-2-(2-Hydroxybenzylidene)hydrazino]carbonyl}phenyl)benzamide
  90. A Ferromagnetically Coupled, Bent, Trinuclear Copper(II) Complex: Synthesis, Structure, Hydrogen-Bonding Network, Magnetic Properties and DNA Interaction Study
  91. 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
  92. 5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydroisoxazole
  93. 5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole
  94. 3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one. Corrigendum
  95. Binuclear μ1,1-N3 and O–H⋯O bridged nickel(II) complex with a N3O chelating agent: Synthesis, structure and magnetic properties
  96. 4-Fluoro-N′-(4-fluoro-3-phenoxybenzoyl)-3-phenoxybenzohydrazide
  97. 3-(4-Fluoro-3-phenoxyphenyl)-5-(4-methoxyphenyl)isoxazole
  98. 1-Acetyl-3-(4-chlorophenyl)-5-(4-fluoro-3-phenoxyphenyl)-1H-pyrazole
  99. 6-(4-Chlorophenyl)-4-(4-fluoro-3-phenoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile
  100. 3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one
  101. Solvatomorphism in 3-Fluorobenzoylaminophenyl 3-Fluorobenzoate: A Subtle Interplay of Strong Hydrogen Bonds and Weak Intermolecular Interactions Involving Disordered Fluorine
  102. 3-Acetyl-6-chloro-2H-chromen-2-one
  103. 1-[1-(4-Fluorophenyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl]ethanone
  104. Binuclear Mixed Valence Oxovanadium(IV/V) Complexes Containing a [OVIV(μ-Ooxo)(μ-Ophen)VVO]2+ Core: Synthesis, EPR Spectra, Molecular and Electronic Structure
  105. In Situ Cryo-Crystallization of Fluorinated Amines:  A Comparative Study of Cooperative Intermolecular Interactions Involving Ordered and Disordered Fluorine
  106. Amido binding to ReO3+ core: Synthesis, structure and intermolecular interactions
  107. 5-Benzyl-1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
  108. Competing Magnetic Interactions in a Dinuclear Ni(II) Complex:  Antiferromagnetic O−H···O Moiety and Ferromagnetic N 3 - Ligand
  109. 2,6-Bis(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid
  110. 4-Fluoro-3-phenoxybenzoic acid
  111. 1-(4-Chlorophenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
  112. 1-(4-Chlorobenzyl)-6,6-dimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one
  113. Poly[bis(benzotriazolato)di-μ-oxo-dilead(II)]
  114. 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
  115. 6-tert-Butyl-4-isopropylideneamino-3-methylsulfanyl-1,2,4-triazin-5(4H)-one
  116. 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
  117. Synthesis and crystal structure of M(hmt)2(H2O)6(NO3)2.4H2O complexes, where M=Mn2+, Co2+
  118. Synthesis, characterization and structure of [Ni(H2O)6]2(Cr2O7)2(hmta)4·2H2O (hmta=hexamethylenetetramine): a novel metal organic–inorganic hybrid
  119. Family of Mixed-Valence Oxovanadium(IV/V) Dinuclear Entities Incorporating N4O3-Coordinating Heptadentate Ligands:  Synthesis, Structure, and EPR Spectra
  120. Two Biologically Active Thiophene-3-carboxamide Derivatives.
  121. Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions
  122. Diisopropyl (1,3-dithiolan-2-ylidene)malonate
  123. N-[(9E)-2-Chloro-9-thia-9H-xanthen-9-ylidene]-N-(4-fluorophenyl)amine
  124. Methyl 2(E)-methoxyimino-2-[2-(2-methylphenoxymethyl)phenyl]acetate
  125. 2-(1,1,2,2-Tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
  126. 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (hexaconazole)
  127. (4E)-3-[(2-Chloro-4,5-dihydro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine (thiamethaxam)
  128. (2E)-1-[(6-Chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine (imidachloprid)
  129. Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl]-1-methyl-1H-pyrazole-4-carboxylate
  130. N-(3-Fluorophenyl)-9H-xanthen-9-ylideneamine
  131. (E)-N1-[(6-Chloropyridin-3-yl)methyl]-N2-cyano-N1-methylacetamidine
  132. 4-(2-Methylprop-2-enyl)-1-[3-(trifluoromethyl)phenyl]thiosemicarbazide
  133. N-Phenylethyl-N'-[3-(trifluoromethyl)phenyl]thiourea
  134. 2-[(E)-(4-Chlorophenyl)methyleneamino]-N-(X-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, whereX= 2 and 3
  135. Methyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  136. 2-(Acetamido)-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
  137. Two biologically active thiophene-3-carboxamide derivatives
  138. 2-Amino-N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  139. 3-Amino-2-methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one
  140. Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  141. Methyl 2-{[(2E)-3-phenylprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  142. Hexaaquamanganese(II) dinitrate bis(hexamethylenetetramine) tetrahydrate
  143. 2-Amino-N-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
  144. A family of oxorhenium(v) complexes incorporating chelated monoanionic ONN reduced Schiff base and dianionic ONNO tetradentate ligands: synthesis, spectroscopic and electrochemical studies
  145. Hexaaquanickel(II) dichromate bis(hexamethylenetetramine) monohydrate
  146. Ethyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
  147. 3,4-Dimethoxyphenylacetic acid