Browsing by Author "Smith, Vincent J."

Now showing 1 - 4 of 4
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    1-[(1-Methyl-1H-imidazol-5-yl)meth­yl]-1H-indole-5-carbo­nitrile
    (International Union of Crystallography, 2012-11) De Jager, Josephus Jacobus ; Smith, Vincent J.
    ABSTRACT: In the title compound, C14H12N4, the dihedral angle between the indole ring system (r.m.s. deviation = 0.010 Å) and the imidazole ring is 77.70 (6)°. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds. One set of hydrogen bonds forms an undulating chain running parallel to the b-axis direction, while the other undulating chain is parallel to the c-axis direction. In combination, (100) sheets result.
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    1-tert-Butyl 2-ethyl 5-bromo-3-(thiophen-2-ylcarbonyl)-1H-indole-1,2-dicarboxylate
    (International Union of Crystallography, 2013-01-16) Hassam, Mohammad; Smith, Vincent J.
    ENGLISH ABSTRACT: In the title compound, C21H20BrNO5S, the thiophene group is located above the mean plane of the indole ring and displays rotational disorder (i.e. rotation through 180). The site occupancy of the major component is 0.902 (2), while that of the minor component is 0.098 (2). In the crystal, pairs of weak C—HO interactions link the molecules into centrosymmetric dimers.
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    5-Chloro-1-(4-methyl­phenyl­sulfon­yl)-1H-indole
    (International Union of Crystallography, 2012-10) Hassam, Mohammad; Smith, Vincent J.
    In the title compound, C15H12ClNO2S, the indole ring is essentially planar (r.m.s. deviation = 0.0107 A˚ ) and makes a dihedral angle of 85.01 (6) with the benzene ring. In the crystal, three C—HO hydrogen bonds result in a hydrogenbonded spiral running parallel to the c axis.
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    Direct determination of enthalpies of sorption using pressure-gradient differential scanning calorimetry: CO2 sorption by Cu-HKUST
    (Wiley, 2020-06-01) Feldmann, Wesley K.; White, Kerry-Anne; Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.
    Enthalpy of sorption (ΔH) is an important parameter for the design of separation processes using adsorptive materials. A pressure-ramped calorimetric method is described and tested for the direct determination of ΔH values. Combining a heatflow thermogram with a single sorption isotherm enables the determination of ΔH as a function of loading. The method is validated by studying CO2 sorption by the well-studied metal–organic framework Cu-HKUST over a temperature range of 288–318 K. The measured ΔH values compare well with previously reported data determined by using isosteric and calorimetric methods. The pressure-gradient differential scanning calorimetry (PGDSC) method produces reliable high-resolution results by direct measurement of the enthalpy changes during the sorption processes. Additionally, PGDSC is less labor-intensive and time-consuming than the isosteric method and offers detailed insight into how ΔH changes over a given loading range.