All Stories

  1. Crystal structure and Hirshfeld surface analysis of a third polymorph of 2,6-dimethoxybenzoic acid
  2. 6-Methyluracil: a redetermination of polymorph (II)
  3. Synthesis of potential HIV integrase inhibitors inspired by natural polyphenol structures
  4. Self-assembling of calcium salt of the new DNA base 5-carboxylcytosine
  5. (Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines
  6. Synthesis, structures and electronic properties of Co(III) complexes with 2-quinolinecarboxaldehyde thio- and selenosemicarbazone: A combined experimental and theoretical study
  7. Role of Weak Hydrogen Bonds and Halogen Bonds in 5-Halo-1,3-dimethyluracils and Their Cocrystals—A Combined Experimental and Computational Study
  8. Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(iii) complex in human cancer cell lines
  9. Sublimation Enthalpies of 5-Haloderivatives of 1,3-Dimethyluracil
  10. Supramolecular association in proton-transfer adducts containing benzamidinium cations. III. Three molecular salts of 3-methoxy-, 4-methoxy- and 3,4,5-trimethoxybenzoates with benzamidine
  11. First X-ray diffraction and quantum chemical study of proton-acceptor and proton-donor forms of 5-carboxylcytosine, the last-discovered nucleobase
  12. Molecular aggregation of novel Zn(II)-salophenpyridyl derivatives
  13. Chemisorption of uracil on gold surfaces via density functional theory
  14. Benzamidinium 2-methoxybenzoate
  15. The Role of Hydrogen Bonding and Proton Transfer in the Formation of Uracil Networks on the Gold (100) Surface: A Density Functional Theory Approach
  16. 4-Methoxybenzamidinium bromide
  17. Cytosinium orotate dihydrate
  18. 4-Methoxybenzamidinium hydrogen oxalate monohydrate
  19. 4-Methoxybenzamidinium nitrate
  20. 4-Methoxybenzamidinium acetate
  21. 4-Methoxybenzamidinium hydrogen sulfate
  22. Supramolecular association in proton-transfer adducts containing benzamidinium cations. II. Concomitant polymorphs of the molecular salt of 2,6-dimethoxybenzoic acid with benzamidine
  23. 4-Methoxybenzamidinium chloride monohydrate
  24. 4-Methoxybenzamidinium 2,6-dimethoxybenzoate
  25. Potassium caffeate/caffeic acid co-crystal: the rat race between the catecholic and carboxylic moieties in an atypical co-crystal
  26. A new polymorph of 2,6-dimethoxybenzoic acid
  27. Testing a Variety of Electronic-Structure-Based Methods for the Relative Energies of 5-Formyluracil Crystals
  28. Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil
  29. From the X-rays to a reliable “low cost” computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics–X-ray diffraction approach to condensed phases
  30. Supramolecular structure of unnatural nucleobases: Revised structure of (2:1) 6-methylisocytosinium dihydrogen monophosphate adduct
  31. ChemInform Abstract: Ab initio Determination of the Equilibrium Geometry and Vibrational Frequencies of Borazine
  32. ChemInform Abstract: Molecular Structure of Ethynylbenzene from Electron Diffraction and ab initio Molecular Orbital Calculations.
  33. A Novel 1D-AF Hybrid Organic−Inorganic Chromium(II) Methyl Phosphonate Dihydrate: Synthesis, X-Ray Crystal and Molecular Structure, and Magnetic Properties
  34. Synthesis and Evaluation of New Endomorphin-2 Analogues Containing (Z)-α,β-Didehydrophenylalanine (ΔZPhe) Residues
  35. Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives
  36. A redetermination of 2-nitrobenzoic acid
  37. Redox Chemistry of Tetrakis[5,6-di(2-pyridyl)-2,3-pyrazino]porphyrazinatocobalt(II): Isolation and Characterization of Solid Pure CoI, CoII, and CoIIIComplexes
  38. Redetermination of 2,6-dimethoxybenzoic acid
  39. Comparison of the Structure and Magnetic Order in a Series of Layered Ni(II) Organophosphonates, Ni[(RPO3)(H2O)] (R = C6H5, CH3, C18H37)
  40. Solid-Phase Molecular Recognition of Cytosine Based on Proton-Transfer Reaction
  41. Acetoguanamine N,N-dimethylformamide solvate
  42. Benzamidinium tetrahydropentaborate sesquihydrate
  43. Redetermination of 3-deazauracil
  44. Biguanidinium dichloride
  45. Redetermination of orotic acid monohydrate
  46. (3R,5S)-5(3)-Carboxy-3,4,5,6-tetrahydro-2H-1,4-thiazin-4-ium-3(5)-carboxylate
  47. Redetermination of 5-iodouracil
  48. Nicotinohydrazide
  49. An unusualsynconformation of 5-formyluracil stabilized by supramolecular interactions
  50. Hydrogen-bonded supramolecular motifs in the 1:1 monohydrated molecular adduct of acetoguanaminium chloride with acetoguanamine and in 2,4,6-triaminopyrimidinediium dichloride dihydrate
  51. Evidence of the Facile Hydride and Enolate Addition to the Imine Bond of an Aluminum−Salophen Complex
  52. The 1:1 complex of cytosine and 5-fluorouracil monohydrate revisited
  53. 2,4-Diamino-1,3,5-triazine (guanamine)
  54. Redetermination of isocytosine
  55. The 1:1 cocrystals of the proton-transfer compound dilituric acid–phenylbiguanide monohydrate
  56. 5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenz[a,d][7]annulen-5-ol
  57. Asymmetric base pairing in the complex 5-fluorocytosinium chloride/5-fluorocytosine monohydrate
  58. Redetermination of ammonium oxalate oxalic acid dihydrate
  59. Redetermination of 5-fluorocytosine monohydrate
  60. Layered hybrid organic–inorganic Co(II) alkylphosphonates. Synthesis, crystal structure and magnetism of the first two members of the series: Co[(CH3PO3)(H2O)] and Co[(C2H5PO3)(H2O)]
  61. p-Bromoanilinium chloride
  62. Synthesis and Anti-Rhinovirus Properties of Fluoro-Substituted Flavonoids
  63. Hydrothermal synthesis, structural characterization and magnetic studies of the new pillared microporous ammonium Fe(III) carboxyethylphosphonate: [NH4][Fe2(OH){O3P(CH2)2CO2}2]
  64. First example of cocrystals of polymorphic maleic hydrazide
  65. Redetermination of phenylbiguanide hydrochloride
  66. Cr[(H3N−(CH2)2−PO3)(Cl)(H2O)]:  X-Ray Single-Crystal Structure and Magnetism of a Polar Organic−Inorganic Hybrid Chromium(II) Organophosphonate
  67. The crystal structure of 3-methyluracil from X-ray powder diffraction data
  68. 1,3-Bridgedp-methyloctahomotetraoxacalix[4]arene–bis-crown-3
  69. X-ray Single-Crystal Structure and Magnetic Properties of Fe[CH3PO3)]·H2O:  A Layered Weak Ferromagnet
  70. Sublimation Thermodynamic Parameters for 5-Fluorouracil and Its 1-Methyl and 1,3-Dimethyl Derivatives from Vapor Pressure Measurements
  71. Synthesis, characterisation and optical properties of symmetrical and unsymmetrical Pt(II) and Pd(II) bis-acetylides. Crystal structure of trans-[Pt(PPh3)2(CC–C6H5)(CC–C6H4NO2)]
  72. Sublimation Enthalpies of Some Methyl Derivatives of Uracil from Vapor Pressure Measurements
  73. The Effect of Hydrogen Bonding on the Structures of Uracil and Some Methyl Derivatives Studied by Experiment and Theory.
  74. Molecular structure of phenylsilane: a study by gas-phase electron diffraction and ab initio molecular orbital calculations
  75. Synthesis and spectroscopic characterization of new Cu(I) complexes containing triaryl-, tricycloalkylphosphines and heterocyclic anionic or neutral N-donor ligands. Crystal and molecular structure of [(Cy3P)2(pzH)Cu]ClO4·CH3OH (Cy=cyclohexyl, pzH=pyra...
  76. Molecular structure of aniline in the gaseous phase: A concerted study by electron diffraction and ab initio molecular orbital calculations
  77. Molecular Structure and Large-Amplitude Motion ofp-Diethynylbenzene from Gas-Phase Electron Diffraction and Theoretical Calculations
  78. X-ray Structure and AM1 Studies of the Proton-Transfer Adduct between 2,5-Dihydroxy-p-quinone and 4-(N,N-Dimethylamino)pyridine
  79. 4-Acetamidocyclohexanone Semicarbazone Dihydrate
  80. Synthesis and characterization of derivatives of copper(I) with n-donor ligands—I. Azole and bis(azolyl)alkane compounds. Crystal structure of nitrato bis(tri-p-tolylphosphine)copper(I)
  81. Effect of intermolecular O-H ⋯ O hydrogen bonding on the molecular structure of phenol: An ab initio molecular orbital study
  82. Cyclohexanone semicarbazone and 4-tert-butylcyclohexanone semicarbazone
  83. Effect of intermolecular hydrogen bonding on the molecular structures of imidazole and 1,2,4-triazole: A study by ab initio molecular orbital calculations
  84. HF-SCF study of the ground state geometry and harmonic vibrational frequencies of borazine derivatives
  85. Molecular structure of ethynylbenzene from electron diffraction and ab initio molecular orbital calculations
  86. (3R,5R)-Tetrahydro-2H-1,4-thiazine-3,5-dicarboxylic acid monohydrate
  87. Molecular structure and ring distortion of phenol. An electron diffraction study
  88. Molecular structure of 1,3,5-trifluorobenzene: comparison of the results of two electron diffraction studies
  89. F. Ramondo, G. Portalone and L. Bencivenni, Ab initio determination of the equilibrium geometry and vibrational frequencies of borazine
  90. Ab initio determination of the equilibrium geometry and vibrational frequencies of borazine
  91. ChemInform Abstract: Molecular Structure of Nitrobenzene in the Planar and Orthogonal Conformations. A Concerted Study by Electron Diffraction, X-Ray Crystallography, and MO Calculations.
  92. Molecular structure of nitrobenzene in the planar and orthogonal conformations
  93. The molecular structure of p-benzenedithiol as determined by electron diffraction
  94. Molecular structure and ring distortions of p-dibromobenzene as determined by electron diffraction
  95. ChemInform Abstract: Benzene Ring Deformation and Rotational Isomerism in Terephthalaldehyde: A Study by Electron Diffraction and MO Calculations.
  96. Effect of Intermolecular Hydrogen Bonding on the Molecular and Electronic Stucture of Hydroxybenzenes.
  97. ChemInform Abstract: Molecular Structure and Ring Distortions of Cyanobenzene: An Electron Diffraction Study.
  98. Benzene ring deformation and rotational isomerism in terephthalaldehyde: a study by electron diffraction and molecular orbital calculations
  99. Molecular structure and ring distortions of cyanobenzene: an electron diffraction study
  100. Molecular structure of p-diaminobenzene in the gaseous phase and in the crystal
  101. The molecular structure of trans 3,6-dimethyl-6-phenyltetrahydro-2-pyrone in the crystal
  102. The molecular structure of trans 3,6-dimethyl-6-phenyltetrahydro-2-pyrone in the crystal
  103. ChemInform Abstract: MOLECULAR STRUCTURE AND RING DISTORTIONS OF P-DIISOCYANOBENZENE IN THE GASEOUS PHASE AND IN THE CRYSTAL
  104. ChemInform Abstract: MOLECULAR STRUCTURE AND RING DISTORTIONS OF FLUOROBENZENE: AN ELECTRON DIFFRACTION STUDY, AND A COMPARISON WITH OTHER EXPERIMENTAL AND AB INITIO MO RESULTS
  105. Molecular structure and ring distortions of p-diiso-cyanobenzene in the gaseous phase and in the crystal
  106. Angular ring distortions in benzene derivatives: the effect of the NO2and COOH substituents
  107. Molecular structure and ring distortions of fluorobenzene: an electron diffraction study, and a comparison with other experimental and ab initio MO results
  108. ChemInform Abstract: MOLECULAR STRUCTURE AND RING DISTORTIONS OF P-DICYANOBENZENE IN THE GAS PHASE AND IN THE CRYSTAL
  109. Molecular Structures of p-Methylsulphonylbenzoic Acid and Methylphenylsulphone: Comparison of X-Ray and Electron Diffraction Results
  110. Structural Studies of Benzene Derivatives, XII [1]. The Molecular Structure of 3,5-Dimethylbenzoic Acid in the Crystal, and a Comparison with the Gas Phase Structure of Related Molecules
  111. Molecular structure and ring distortions of p-dicyano-benzene in the gas phase and in the crystal
  112. Research on african medicinal plants—IV
  113. Structural studies of benzene derivatives. XI. The structure of p-toluidine hydrochloride
  114. Effects of Through-Conjugation on the Molecular Structure of p-Nitroaniline [1]
  115. p-Nitroaniline revisited
  116. Structural studies of benzene derivatives. VII. The structure of p-aminobenzoic acid hydrochloride