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  • 1
    Online Resource
    Online Resource
    Weak Intermolecular Forces, but High Melting Points
    CSIRO Publishing ; 2017
    In:  Australian Journal of Chemistry Vol. 70, No. 5 ( 2017), p. 538-
    Details
    In: Australian Journal of Chemistry, CSIRO Publishing, Vol. 70, No. 5 ( 2017), p. 538-
    Abstract: The poorly soluble racemic compound 6,6a,13,13a-tetrahydropentaleno[1,2-b:4,5-b′]diquinoline (4) has an exceptionally high melting point range of 352–354°C despite its low molar mass (308.38) and a structure containing only 40 atoms (38 of which are C and H). Analysis of the X-ray crystal structure and Hirshfeld surface of 4, along with comparison with its isostructural homologue 2, reveals how this occurs in the absence of Pauling-type hydrogen bonding. Excellent complementarity between homochiral molecules of 4 allows formation of enantiomerically pure layers using C–H⋯π, aromatic π⋯π, and C–H⋯N interactions. The alternating layers of opposite handedness are then crosslinked by means of aza-1,3-peri hydrogen interactions. This bifurcated C–H⋯N⋯H–C motif acts as a molecular clip creating a highly rigid network structure. The role of weaker intermolecular forces in influencing the solubility and bioavailability of potential drug molecules is discussed in the context of the popular Lipinski ‘rule of 5’ guidelines.
    Type of Medium: Online Resource
    ISSN: 0004-9425
    URL: Article
    DOI: 10.1071/CH16565
    RVK:
    VA 2470
    Language: English
    Publisher: CSIRO Publishing
    Publication Date: 2017
    Location Call Number Limitation Availability
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  • 2
    Online Resource
    Online Resource
    Syntheses and Structure Investigations of 3d Transition Metal Complexes with a Flexible N4O2-Donor Hexadentate Schiff-Base Ligand
    CSIRO Publishing ; 2017
    In:  Australian Journal of Chemistry Vol. 70, No. 5 ( 2017), p. 581-
    Details
    In: Australian Journal of Chemistry, CSIRO Publishing, Vol. 70, No. 5 ( 2017), p. 581-
    Abstract: The syntheses and structure investigations of four new 3d transition metal complexes (1–4) with a flexible N4O2-donor hexadentate Schiff-base ligand are described; three complexes (1, 2, and 4) of FeIII, CoIII, and CuII metal ions have been investigated by UV-vis, FT-IR, high-resolution mass spectrometry (HR-MS), and scanning electron microscopy–electron dispersive spectroscopy, as well as single crystal X-ray diffraction. The X-ray structure of NiII complex 3 is also reported. The molecular structures of the complexes (1–3) demonstrate distorted octahedral coordination geometry, each exhibiting 1 : 1 (M : L) ratios and the CuII complex 4 shows a trinuclear structure with a CuII : L ratio of 3 : 2 in the solid state, which has been proven by X-ray diffraction. On the other hand, a mononuclear species of the CuII complex is formed in solution, which has been identified by electrospray ionization HR-MS.
    Type of Medium: Online Resource
    ISSN: 0004-9425
    URL: Article
    DOI: 10.1071/CH16678
    RVK:
    VA 2470
    Language: English
    Publisher: CSIRO Publishing
    Publication Date: 2017
    Location Call Number Limitation Availability
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    Online Resource
  • 3
    Online Resource
    Online Resource
    Polymorphs of Neutral Red, a Redox-Mediating Phenazine in Biological Systems
    CSIRO Publishing ; 2017
    In:  Australian Journal of Chemistry Vol. 70, No. 9 ( 2017), p. 1032-
    Details
    In: Australian Journal of Chemistry, CSIRO Publishing, Vol. 70, No. 9 ( 2017), p. 1032-
    Abstract: Neutral red 1 is a heterocyclic phenazine that, as a crystalline solid, has been observed to accelerate microbial methane generation from coal. Scale-up to an industrial process will require large quantities of neutral red crystals, hence an understanding of any polymorphic behaviour is essential for careful control of this process. A room-temperature structure of 1 (Form I) has been reported previously, and this study describes a new polymorph (Form II) crystallising from aqueous solution at 50°C, or transforming from Form I over an incubation time of one week at 70°C. Single-crystal X-ray diffraction has been used to study the molecular arrangements and intermolecular interactions in the new polymorph, and compared with those found in the room temperature form. Both polymorphs have been characterised using Raman and infrared spectroscopy, and a synthetic mixture of polymorphs successfully imaged using Raman spectroscopy. Raman imaging is proposed as a quality control method for small quantities of sample to ensure the correct polymorph is produced as a feedstock for this new methanogenesis process.
    Type of Medium: Online Resource
    ISSN: 0004-9425
    URL: Article
    DOI: 10.1071/CH17141
    RVK:
    VA 2470
    Language: English
    Publisher: CSIRO Publishing
    Publication Date: 2017
    Location Call Number Limitation Availability
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    Online Resource
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