All Stories

  1. Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides
  2. Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1H)-one
  3. From liquid to crystal via mechanochemical grinding: unique host–guest (HOF) cocrystal
  4. Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates
  5. 4-Aryl-1,4-Dihydropyridines as Potential Enoyl-Acyl Carrier Protein Reductase Inhibitors: Antitubercular Activity and Molecular Docking Study
  6. Structural investigation of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
  7. 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
  8. Structural investigation of methyl 3-(4-fluorobenzoyl)-7-methyl-2-phenylindolizine-1-carboxylate, an inhibitory drug towards Mycobacterium tuberculosis
  9. Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride
  10. Synthesis and Structural Elucidation of Novel Benzothiazole Derivatives as Anti-tubercular Agents: In-silico Screening for Possible Target Identification
  11. Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative
  12. Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules
  13. 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
  14. Larvicidal study of tetrahydropyrimidine scaffolds against Anopheles arabiensis and structural insight by single crystal X-ray studies
  15. Crystal structure analysis of [5-(4-methoxyphenyl)-2-methyl-2H-1,2,3-triazol-4-yl](thiophen-2-yl)methanone
  16. Similarities and differences in the crystal packing of halogen-substituted indole derivatives
  17. Efficient Synthesis and Characterization of Novel Substituted 3-Benzoylindolizine Analogues via the Cyclization of Aromatic Cycloimmoniumylides with Electrondeficient Alkenes
  18. Crystal packing analysis of in situ cryocrystallized 2,2,2-trifluoroacetophenone
  19. Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones
  20. Molecular modeling studies and anti-TB activity of trisubstituted indolizine analogues; molecular docking and dynamic inputs
  21. Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state
  22. 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
  23. Crystal structure landscape of conformationally flexible organo-fluorine compounds
  24. Crystallographic and computational investigation of intermolecular interactions involving organic fluorine with relevance to the hybridization of the carbon atom
  25. Understanding of Noncovalent Interactions Involving Organic Fluorine
  26. N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide
  27. Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides
  28. The art of in situ cryocrystallization
  29. Revealing the Polarizability of Organic Fluorine in the Trifluoromethyl Group: Implications in Supramolecular Chemistry
  30. Computational Study of the Formation of Short Centrosymmetric N–H···S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles
  31. 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
  32. Analysis of intermolecular interactions in 3-(4-fluoro-3-phenoxyphenyl)-1-((4-methylpiperazin-1-yl)methyl)-1H-1,2,4-triazole-5-thiol
  33. Role of Polymorphism in Materials Science
  34. Exploration of polymorphism in drugs
  35. Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals
  36. Quantitative Analysis of Intermolecular Interactions in 7-Hydroxy-4-methyl-2H-chromen-2-one and Its Hydrate
  37. 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
  38. Design and synthesis of cyclic depsipeptides containing triazole (CDPT) rings
  39. Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles
  40. Quantitative Crystal Structure Analysis of (E)-1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
  41. Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives
  42. Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides
  43. Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols
  44. Structural Investigation of Weak Intermolecular Interactions in Fluorine Substituted Isomeric N-Benzylideneanilines
  45. Surprises in Crystal Chemistry of Sugars
  46. Advances in Understanding of Chemical Bonding: Inputs from Experimental and Theoretical Charge Density Analysis
  47. ChemInform Abstract: Role of Fluorine in Weak Interactions in Co-crystals
  48. Synthesis and an Evaluation of Molecular Conformation and Crystal Packing in Two Substituted 4-Phenylquinolines
  49. ChemInform Abstract: Is Organic Fluorine Really “Not” Polarizable?
  50. Is Organic Fluorine Really “Not” Polarizable?
  51. Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides
  52. Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides
  53. Role of Fluorine in Weak Interactions in Co-crystals
  54. 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
  55. ChemInform Abstract: Cu-Catalyzed Efficient Synthetic Methodology for Ebselen and Related Se-N Heterocycles.
  56. 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
  57. Role of organic fluorine in crystal engineering
  58. Cu-Catalyzed Efficient Synthetic Methodology for Ebselen and Related Se−N Heterocycles
  59. N-(X-Methylphenyl)-2-{(Z)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, whereX= 2 and 3
  60. Synthesis and characterization of metal substituted AlxCr1−x(acetylacetonate)3 single-source precursors for their application to MOCVD of thin films
  61. Tetrakis-μ-L-alanine-κ8O:O′-bis[tetraaquaterbium(III)] hexaperchlorate. Corrigendum
  62. Crystalline ethane-1,2-diol does not have intra-molecular hydrogen bonding: Experimental and theoretical charge density studies
  63. Tetrakis-μ-L-alanine-κ8O:O′-bis[tetraaquaterbium(III)] hexaperchlorate
  64. 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
  65. 17α-Estradiol·1/2 H2O: Super-Structural Ordering, Electronic Properties, Chemical Bonding, and Biological Activity in Comparison with Other Estrogens
  66. Chemical Bonding and Structure−Reactivity Correlation in Meldrum’s Acid: A Combined Experimental and Theoretical Electron Density Study
  67. Analysis of weak interactions involving organic fluorine: Insights from packing features in substituted 4-keto-tetrahydroindoles
  68. Synthesis, structure and characterization of fac-[Re(CO)3]+ complexes derived from hydrazone Schiff bases: DFT–TDDFT investigation on electronic structures
  69. Binuclear Copper(II) Complexes with N 4 O 3 Coordinating Heptadentate Ligand: Synthesis, Structure, Magnetic Properties, Density-Functional Theory Study, and Catecholase Activity
  70. Disorder Induced Concomitant Polymorphism in 3-Fluoro-N-(3-fluorophenyl)benzamide
  71. 2-[(E)-(4-Hydroxy-3-methoxybenzylidene)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  72. Strength vs. Accessibility: Unraveling the Patterns of Self-Recognition in a Conformationally Locked Amino Alcohol
  73. Strength vs. Accessibility: Unraveling the Patterns of Self-Recognition in a Conformationally Locked Amino Alcohol (Eur. J. Org. Chem. 5/2008)
  74. Mixed bridged dinuclear Ni(II) complexes: synthesis, structure, magnetic properties and DFT study
  75. Evaluation of the interchangeability of C–H and C–F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides
  76. RhCl 3 -Assisted C−H and C−S Bond Scissions:  Isomeric Self-Association of Organorhodium(III) Thiolato Complex. Synthesis, Structure, and Electrochemistry
  77. Chemistry of 1-Fluoro-2,3,4-triphenylcyclobutadiene Dimers
  78. Four substituted pyrazolines
  79. 6-Bromo-3-(dibromoacetyl)-2H-chromen-2-one
  80. A series of substituted (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones
  81. trans-1,2-Difluoro-3,4,5,6,7,8-hexaphenyltricyclo[4.2.0.02,5]octa-3,7-diene
  82. (2E)-Methyl 2-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate
  83. 4-Methyl-2,6-bis(2-naphthylmethylene)cyclohexan-1-one
  84. (2Z,3E)-2,3-Bis(2-thienylmethylene)succinic acid methanol hemisolvate
  85. 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
  86. 3-Dibromoacetyl-2H-chromen-2-one
  87. (5S)-1,4-Bis{[(1E)-4-methylbenzylidene]amino}-5-(thien-2-yl)pyrrolidin-2-one
  88. Variability in Halogen Interactions:  In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones
  89. 4,5-Dimethyl-N-(2-methylphenyl)-2-{[(1E)-(3,4,5-trimethoxyphenyl)methylene]amino}thiophene-3-carboxamide
  90. N-(2-{[(2E)-2-(2-Hydroxybenzylidene)hydrazino]carbonyl}phenyl)benzamide
  91. A Ferromagnetically Coupled, Bent, Trinuclear Copper(II) Complex: Synthesis, Structure, Hydrogen-Bonding Network, Magnetic Properties and DNA Interaction Study
  92. 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
  93. 5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydroisoxazole
  94. 5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole
  95. 3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one. Corrigendum
  96. Binuclear μ1,1-N3 and O–H⋯O bridged nickel(II) complex with a N3O chelating agent: Synthesis, structure and magnetic properties
  97. 4-Fluoro-N′-(4-fluoro-3-phenoxybenzoyl)-3-phenoxybenzohydrazide
  98. 3-(4-Fluoro-3-phenoxyphenyl)-5-(4-methoxyphenyl)isoxazole
  99. 1-Acetyl-3-(4-chlorophenyl)-5-(4-fluoro-3-phenoxyphenyl)-1H-pyrazole
  100. 6-(4-Chlorophenyl)-4-(4-fluoro-3-phenoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile
  101. 3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one
  102. Solvatomorphism in 3-Fluorobenzoylaminophenyl 3-Fluorobenzoate: A Subtle Interplay of Strong Hydrogen Bonds and Weak Intermolecular Interactions Involving Disordered Fluorine
  103. 3-Acetyl-6-chloro-2H-chromen-2-one
  104. 1-[1-(4-Fluorophenyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl]ethanone
  105. Binuclear Mixed Valence Oxovanadium(IV/V) Complexes Containing a [OVIV(μ-Ooxo)(μ-Ophen)VVO]2+ Core: Synthesis, EPR Spectra, Molecular and Electronic Structure
  106. In Situ Cryo-Crystallization of Fluorinated Amines:  A Comparative Study of Cooperative Intermolecular Interactions Involving Ordered and Disordered Fluorine
  107. Amido binding to ReO3+ core: Synthesis, structure and intermolecular interactions
  108. 5-Benzyl-1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
  109. Competing Magnetic Interactions in a Dinuclear Ni(II) Complex:  Antiferromagnetic O−H···O Moiety and Ferromagnetic N 3 - Ligand
  110. 2,6-Bis(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid
  111. 4-Fluoro-3-phenoxybenzoic acid
  112. 1-(4-Chlorophenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
  113. 1-(4-Chlorobenzyl)-6,6-dimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one
  114. Poly[bis(benzotriazolato)di-μ-oxo-dilead(II)]
  115. 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
  116. 6-tert-Butyl-4-isopropylideneamino-3-methylsulfanyl-1,2,4-triazin-5(4H)-one
  117. 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
  118. Synthesis and crystal structure of M(hmt)2(H2O)6(NO3)2.4H2O complexes, where M=Mn2+, Co2+
  119. Synthesis, characterization and structure of [Ni(H2O)6]2(Cr2O7)2(hmta)4·2H2O (hmta=hexamethylenetetramine): a novel metal organic–inorganic hybrid
  120. Family of Mixed-Valence Oxovanadium(IV/V) Dinuclear Entities Incorporating N4O3-Coordinating Heptadentate Ligands:  Synthesis, Structure, and EPR Spectra
  121. Two Biologically Active Thiophene-3-carboxamide Derivatives.
  122. Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions
  123. Diisopropyl (1,3-dithiolan-2-ylidene)malonate
  124. N-[(9E)-2-Chloro-9-thia-9H-xanthen-9-ylidene]-N-(4-fluorophenyl)amine
  125. Methyl 2(E)-methoxyimino-2-[2-(2-methylphenoxymethyl)phenyl]acetate
  126. 2-(1,1,2,2-Tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
  127. 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (hexaconazole)
  128. (4E)-3-[(2-Chloro-4,5-dihydro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine (thiamethaxam)
  129. (2E)-1-[(6-Chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine (imidachloprid)
  130. Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl]-1-methyl-1H-pyrazole-4-carboxylate
  131. N-(3-Fluorophenyl)-9H-xanthen-9-ylideneamine
  132. (E)-N1-[(6-Chloropyridin-3-yl)methyl]-N2-cyano-N1-methylacetamidine
  133. 4-(2-Methylprop-2-enyl)-1-[3-(trifluoromethyl)phenyl]thiosemicarbazide
  134. N-Phenylethyl-N'-[3-(trifluoromethyl)phenyl]thiourea
  135. 2-[(E)-(4-Chlorophenyl)methyleneamino]-N-(X-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, whereX= 2 and 3
  136. Methyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  137. 2-(Acetamido)-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
  138. Two biologically active thiophene-3-carboxamide derivatives
  139. 2-Amino-N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  140. 3-Amino-2-methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one
  141. Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  142. Methyl 2-{[(2E)-3-phenylprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  143. Hexaaquamanganese(II) dinitrate bis(hexamethylenetetramine) tetrahydrate
  144. 2-Amino-N-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
  145. A family of oxorhenium(v) complexes incorporating chelated monoanionic ONN reduced Schiff base and dianionic ONNO tetradentate ligands: synthesis, spectroscopic and electrochemical studies
  146. Hexaaquanickel(II) dichromate bis(hexamethylenetetramine) monohydrate
  147. Ethyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
  148. 3,4-Dimethoxyphenylacetic acid