William T. A. Harrison

University of Aberdeen, Aberdeen, Scotland, United Kingdom

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Publications (699)578.92 Total impact

  • Source
    W.T.A. Harrison, L. Nahar, A.B. Turner
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    ABSTRACT: In the title compound, C40H50O6, a symmetrical steroid oxalate diester, the dihedral angle between the CO2 planes of the oxalate linker is 61.5 (5)° and the C—C bond length is 1.513 (6) Å. The steroid B, C and D rings adopt half-chair, chair and envelope conformations, respectively, in both halves of the mol­ecule, which adopts an overall shallow V-shaped conformation. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions, forming a three-dimensional network.
    Acta Crystallographica Section E Structure Reports Online 07/2014; 70(8). · 0.35 Impact Factor
  • Source
    W.T.A. Harrison, J.L. Wardell
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    ABSTRACT: The title compounds, K+·C7H7BF3O−, (I), and K+·C6H4BF4−, (II), are mol­ecular salts containing para-substituted phenyl­tri­fluorido­borate anions. In each compound, the B atom adopts a distorted tetra­hedral BCF3 geometry. Despite their different compositions and space groups, the irregular KF8 coordination polyhedra of the potassium cations in the structures are almost identical. These polyhedra share faces and edges, generating infinite (010) layers in (I) and infinite (001) layers in (II). In (I), adjacent layers are stacked in an AAA… fashion, whereas in (II), they are stacked in an ABAB… sequence.
    Acta Crystallographica Section E Structure Reports Online 07/2014; 70(8). · 0.35 Impact Factor
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    ABSTRACT: The title compound, poly[[di­aqua­bis­[1,5-bis­(pyridin-4-yl)pentane-κ2N:N′]cadmium] bis­(perchlorate) 1,5-bis­(pyridin-4-yl)pentane ethanol mono­solvate], [Cd(C15H18N2)2(H2O)2](ClO4)2·C15H18N2·C2H6O, is a layered coordination polymer built up from highly squashed 44 nets in which the octa­hedral trans-CdO2N4 nodes (Cd site symmetry -1) are linked by the bifunctional ligands, forming infinite (110) sheets. The cationic sheets are charge-balanced by inter­layer perchlorate ions. A free 1,5-bis­(pyridin-4-yl)pentane mol­ecule and an ethanol mol­ecule of crystallization are also found in the inter­sheet region. A number of O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds help to consolidate the layered structure.
    Acta Crystallographica Section E Structure Reports Online 07/2014; 70(8). · 0.35 Impact Factor
  • Source
    W.T.A. Harrison, M.G. Johnston
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    ABSTRACT: The polyhedral building blocks of the layered inorganic network in the mixed-valence title compound, (NH4)(VIVO2)(VVO2)(TeO3), are vertex-sharing VVO4 tetra­hedra, distorted VIVO6 octa­hedra and TeO3 pyramids, which are linked by V—O—V and V—O—Te bonds, forming double layers lying parallel to (100). The presumed TeIV lone-pairs of electrons appear to be directed inwards into cavities in the double layers. The charge-balancing ammonium cations lie between the layers and probably inter­act with them via N—H⋯O hydrogen bonds.
    Acta Crystallographica Section E Structure Reports Online 06/2014; 70(7). · 0.35 Impact Factor
  • Source
    Ola K Sakka, Daisy H Fleita, William T A Harrison
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    ABSTRACT: In the title compound, CHNOS, the essentially planar thia-zole ring (r.m.s. deviation = 0.022 Å) forms dihedral angles of 84.88 (9) and 1.8 (3)° with the phenyl ring and the -C(CN) group (r.m.s. deviation = 0.003 Å), respectively. The mol-ecule has approximate local symmetry. In the crystal, molecules are linked C-H⋯N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63 (1):0.37 (1) domain ratio.
    Acta Crystallographica Section E Structure Reports Online 03/2013; 69(Pt 3):o350. · 0.35 Impact Factor
  • Source
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    ABSTRACT: In the title compound, CHClNOS, the dihedral angle between the aromatic rings is 6.62 (2)° and the C=N-N=C torsion angle is 176.2 (4)°. The thia-zine ring shows an envelope conformation, with the S atom displaced by 0.633 (6) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.037 Å). The Cl atom is an an axial conformation and is displaced by 2.015 (6) Å from the thia-zine ring plane. In the crystal, mol-ecules are linked by C-H⋯O inter-actions, generating a three-dimensional network. Very weak aromatic π-π stacking inter-actions [centroid-centroid separations = 3.928 (2) Å] are also observed.
    Acta Crystallographica Section E Structure Reports Online 03/2013; 69(Pt 3):o422-3. · 0.35 Impact Factor
  • Source
    S. Ahmad, M. Shafiq, M.N. Tahir, W.T.A. Harrison, I.U. Khan
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    ABSTRACT: In the title compound, C16H13Cl2N3O2S, the dihedral angle between the aromatic rings is 6.62 (2)° and the C=N—N=C torsion angle is 176.2 (4)°. The thia­zine ring shows an envelope conformation, with the S atom displaced by 0.633 (6) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.037 Å). The Cl atom is an an axial conformation and is displaced by 2.015 (6) Å from the thia­zine ring plane. In the crystal, mol­ecules are linked by C—H⋯O inter­actions, generating a three-dimensional network. Very weak aromatic π–π stacking inter­actions [centroid–centroid separations = 3.928 (2) Å] are also observed.
    Acta Crystallographica Section E Structure Reports Online 02/2013; 69(3). · 0.35 Impact Factor
  • Source
    O.K. Sakka, D.H. Fleita, W.T.A. Harrison
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    ABSTRACT: In the title compound, C12H7N3OS, the essentially planar thia­zole ring (r.m.s. deviation = 0.022 Å) forms dihedral angles of 84.88 (9) and 1.8 (3)° with the phenyl ring and the –C(CN)2 group (r.m.s. deviation = 0.003 Å), respectively. The mol­ecule has approximate local Cs symmetry. In the crystal, molecules are linked via C—H⋯N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63 (1):0.37 (1) domain ratio.
    Acta Crystallographica Section E Structure Reports Online 02/2013; 69(3). · 0.35 Impact Factor
  • Source
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    ABSTRACT: In the title compound, C(17)H(16)BrN(3)O(2)S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N-N=C torsion angle is 167.7 (3)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by 0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.027 Å). In the crystal, C-H⋯O inter-actions link the mol-ecules into C(10) [010] chains. A weak C-H⋯π inter-action is also observed.
    Acta Crystallographica Section E Structure Reports Online 02/2013; 69(Pt 2):o164. · 0.35 Impact Factor
  • Source
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    ABSTRACT: In the title compound, C(18)H(16)ClN(3)O(2)S, the dihedral angle between the aromatic rings is 4.81 (2)° and the alkyl chain takes on an extended conformation [N-C-C-C = 179.2 (4)°]. The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.046 Å). The Cl atom is an axial conformation and is displaced by 1.761 (4) Å from the thia-zine ring plane. In the crystal, inversion dimers linked by pairs of C-H⋯O inter-actions generate R(2) (2)(20) loops and further C-H⋯O hydrogen bonds link the dimers into (001) sheets. Weak aromatic π-π stacking inter-actions [centroid-centroid separations = 3.870 (3) and 3.883 (3) Å] are also observed.
    Acta Crystallographica Section E Structure Reports Online 02/2013; 69(Pt 2):o165. · 0.35 Impact Factor
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    ABSTRACT: In the title compound, C(19)H(21)N(3)O(2)S, the dihedral angle between the aromatic rings is 6.7 (2)° and the C=N-N=C torsion angle is 178.0 (2)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by 0.802 (2) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.022 Å). In the crystal, mol-ecules are linked by C-H⋯O inter-actions, generating C(5) chains propagating in [010]. A weak C-H⋯π inter-action is also observed.
    Acta Crystallographica Section E Structure Reports Online 02/2013; 69(Pt 2):o200. · 0.35 Impact Factor
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: In the title compound, C17H16BrN3O2S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N—N=C torsion angle is 167.7 (3)°. The conformation of the thia­zine ring is an envelope, with the S atom displaced by 0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.027 Å). In the crystal, C—H⋯O inter­actions link the mol­ecules into C(10) [010] chains. A weak C—H⋯π inter­action is also observed.
    Acta Crystallographica Section E Structure Reports Online 01/2013; 69(2). · 0.35 Impact Factor
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: In the title compound, C18H16ClN3O2S, the dihedral angle between the aromatic rings is 4.81 (2)° and the alkyl chain takes on an extended conformation [N—C—C—C = 179.2 (4)°]. The conformation of the thia­zine ring is an envelope, with the S atom displaced by −0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.046 Å). The Cl atom is an axial conformation and is displaced by 1.761 (4) Å from the thia­zine ring plane. In the crystal, inversion dimers linked by pairs of C—H⋯O inter­actions generate R22(20) loops and further C—H⋯O hydrogen bonds link the dimers into (001) sheets. Weak aromatic π–π stacking inter­actions [centroid–centroid separations = 3.870 (3) and 3.883 (3) Å] are also observed.
    Acta Crystallographica Section E Structure Reports Online 01/2013; 69(2). · 0.35 Impact Factor
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    ABSTRACT: Four trans-palladium(II)- and trans-platinum(II)-chlorido complexes, trans-[PdCl(2)(2-hmpy)(2)] (1), trans-[PtCl(2)(2-hmpy)(2)] (2), trans-[PdCl(2)(2-hepy)(2)] (3) and trans-[PtCl(2)(2-hepy)(2)] (4) (2-hmpy = 2-(hydroxymethyl)pyridine and 2-hepy = 2-(2-hydroxyethyl)pyridine), have been synthesized and characterized by elemental analysis, IR, NMR, and X-ray diffraction. The binding properties of these complexes with fish sperm DNA (FS-DNA) were investigated by UV titration, viscosity, thermal denaturation and electrophoresis measurements. The complexes can bind to FS-DNA and complex 4 exhibits the highest binding constant. Gel electrophoresis assay demonstrates that all the complexes can cleave the pCMV-βgal plasmid DNA to a different degree. The cytotoxic activities of the complexes were tested against four different cancer cell lines. In general, the platinum(II) complexes are more effective than the isostructural palladium(II) complexes. Complex 4 shows high anticancer activity, compared to transplatin, cisplatin, carboplatin and oxaliplatin.
    European journal of medicinal chemistry 12/2012; 60C:386-394. · 3.27 Impact Factor
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    ABSTRACT: In the title compound, C(16)H(13)BrFN(3)O(2)S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N-N=C torsion angle is 178.9 (3)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.811 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042 Å). In the crystal, C-H⋯O inter-actions link the mol-ecules and weak aromatic π-π stacking between the fluoro-benzene and bromo-benzene rings [centroid-centroid separation = 3.720 (2) Å and inter-planar angle = 2.6 (2)°] is also observed.
    Acta Crystallographica Section E Structure Reports Online 10/2012; 68(Pt 10):o2851. · 0.35 Impact Factor
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    ABSTRACT: In the title compound, C(22)H(23)NO(4)S(2), the dihedral angles between the dimethyl-phenyl ring and the two methyl-phenyl rings are 41.19 (15) and 20.50 (17)°; the dihedral angle between the methyl-phenyl rings is 48.11 (14)°. The C-N-S-C torsion angles are -87.6 (2) and 77.43 (18)°. The only possible directional inter-actions in the crystal are very weak C-H⋯π inter-actions and very weak π-π stacking between parallel methyl-phenyl rings [centroid-to-centroid separation = 4.010 (2) Å and slippage = 1.987 Å].
    Acta Crystallographica Section E Structure Reports Online 10/2012; 68(Pt 10):o3013. · 0.35 Impact Factor
  • Source
    Muhammad Shafiq, William T A Harrison, Islam Ullah Khan, Ejaz
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    ABSTRACT: In the title compound, C(17)H(17)N(3)O(2)S, the dihedral angle between the aromatic rings is 6.3 (5)° and the C=N-N=C group is statistically planar [torsion angle = 179.8 (8)°]. The conformation of the thia-zine ring is an envelope, with the S atom displaced by 0.823 (9) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.012 Å). In the crystal, C-H⋯O inter-actions link the mol-ecules into C(5) chains propagating along [101]. The chains are consolidated by weak aromatic π-π stacking between the benzene and toluene rings [centroid-to-centroid separation = 3.826 (5) Å and inter-planar angle = 6.3 (4)°].
    Acta Crystallographica Section E Structure Reports Online 10/2012; 68(Pt 10):o2971. · 0.35 Impact Factor
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    ABSTRACT: In the title compound, C(20)H(17)F(2)NO(4)S(2), the dihedral angles between the o-xylene ring and the fluoro-benzene rings are 31.7 (1) and 32.8 (1)°, and the dihedral angle between the fluoro-benzene rings is 50.9 (1)°. The C-N-S-C torsion angles are 76.7 (2) and 101.8 (2)°. In the crystal, mol-ecules are connected by C-H⋯O inter-actions into sheets in the ab plane.
    Acta Crystallographica Section E Structure Reports Online 10/2012; 68(Pt 10):o2973. · 0.35 Impact Factor
  • Source
    M. Shafiq, I.U. Khan, W.T.A. Harrison, A. Hussain, H. Ashraf
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    ABSTRACT: In the title compound, C16H13BrFN3O2S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N—N=C torsion angle is 178.9 (3)°. The conformation of the thia­zine ring is an envelope, with the S atom displaced by −0.811 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042 Å). In the crystal, C—H⋯O inter­actions link the mol­ecules and weak aromatic π–π stacking between the fluoro­benzene and bromo­benzene rings [centroid–centroid separation = 3.720 (2) Å and inter­planar angle = 2.6 (2)°] is also observed.
    Acta Crystallographica Section E Structure Reports Online 09/2012; 68(10). · 0.35 Impact Factor
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    ABSTRACT: In the title compound, C(16)H(15)N(3)O(3)S, the dihedral angle between the aromatic rings is 8.18 (11)° and the C=N-N=C torsion angle is 178.59 (14)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by 0.8157 (18) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.045 Å). An intra-molecular O-H⋯N hydrogen bond closes an S(6) ring. In the crystal, weak C-H⋯O inter-actions link the mol-ecules, with all three O atoms acting as acceptors.
    Acta Crystallographica Section E Structure Reports Online 09/2012; 68(Pt 9):o2643. · 0.35 Impact Factor

Publication Stats

854 Citations
578.92 Total Impact Points

Institutions

  • 1999–2014
    • University of Aberdeen
      • Department of Chemistry
      Aberdeen, Scotland, United Kingdom
  • 2013
    • Government College University Faisalabad
      • Department of Chemistry
      Faisalābād, Punjab, Pakistan
    • Gomal University
      • Department of Chemistry
      Dera Ismāīl Khān, North West Frontier Province, Pakistan
    • The American University in Cairo
      • Department of Chemistry
      Cairo, Muhafazat al Qahirah, Egypt
  • 2012
    • Government College University, Lahore
      • Department of Chemistry
      Lahore, Punjab, Pakistan
    • Uludag University
      • Department of Chemistry
      United States
  • 1993–2010
    • University of Houston
      • Department of Chemistry
      Houston, Texas, United States
  • 1988–2010
    • University of California, Santa Barbara
      • • Department of Chemistry and Biochemistry
      • • Materials Research Laboratory
      Santa Barbara, California, United States
  • 2008
    • University of Southampton
      • Faculty of Natural and Environmental Sciences
      Southampton, ENG, United Kingdom
    • Gorgan University of Agricultural Sciences and Natural Resources
      • Department of Soil Sciences
      Asterābād, Golestān, Iran
  • 2007
    • St Aloysius College
      Mangalur, Karnātaka, India
  • 2002–2005
    • Federal University of Rio de Janeiro
      • Departamento de Química Inorgânica
      Rio de Janeiro, Rio de Janeiro, Brazil
  • 1997–2005
    • University of Western Australia
      • School of Chemistry and Biochemistry
      Perth, Western Australia, Australia
  • 2004
    • University of the West of Scotland
      Пейсли, Scotland, United Kingdom
  • 2001–2004
    • Ondokuz Mayıs Üniversitesi
      • Faculty of Arts and Sciences
      Djanik, Samsun, Turkey
    • University of St Andrews
      • School of Chemistry
      Saint Andrews, SCT, United Kingdom
  • 1995
    • National Institute of Standards and Technology
      Maryland, United States
  • 1985–1992
    • University of Oxford
      • Inorganic Chemistry Laboratory
      Oxford, England, United Kingdom