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  • Crystal structure4-chloromandelatediastereomeric saltresolutionabsolute structureresonant scatteringhydrogen bondingC—H...π interactionsCl...Cl interaction  (1)
  • Crystal structureethane-1,2-diaminethiocyanatetrans isomerchromium(III) complexsynchrotron datahydrogen bonds  (1)
  • International Union of Crystallography (IUC)  (2)
  • MDPI Publishing
  • 2010-2014  (2)
Collection
Keywords
Publisher
  • International Union of Crystallography (IUC)  (2)
  • MDPI Publishing
Years
  • 2010-2014  (2)
Year
  • 1
    Publication Date: 2014-11-06
    Description: The absolute configuration of the title molecular salt, C15H18N+·C8H6ClO3−, has been confirmed by resonant scattering. In the (R)-N-benzyl-1-phenyl-ethylammonium cation, the phenyl rings are inclined to one another by 44.65 (7)°. In the crystal, the (R)-4-chloromandelate anions are linked via O—H...O hydrogen bonds and bridged by N—H...O hydrogen bonds involving the cations, forming chains along [010]. There are C—H...O hydrogen bonds present within the chains, which are linked via C—H...π interactions and a short Cl...Cl interaction [3.193 (1) Å] forming a three-dimensional framework. The structure was refined as a two-component inversion twin giving a Flack parameter of 0.05 (4).
    Keywords: Crystal structure4-chloromandelatediastereomeric saltresolutionabsolute structureresonant scatteringhydrogen bondingC—H...π interactionsCl...Cl interaction
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
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  • 2
    Publication Date: 2014-12-26
    Description: The structure of the title compound, [Cr(NCS)2(C2H8N2)2]2[ZnCl4], has been determined from synchrotron data. In the asymmetric unit, there are four independent halves of the CrIII complex cations, each of which lies on an inversion centre, and one tetrachloridozincate anion in a general position. The CrIII atoms are coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound NCS− anions in a trans arrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) and Cr—N(NCS) bond lengths range from 2.0653 (10) to 2.0837 (10) Å and from 1.9811 (10) to 1.9890 (10) Å, respectively. The five-membered metalla-rings are in stable gauche conformations. The [ZnCl4]2− anion has a distorted tetrahedral geometry. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH2 or CH2 groups as donors and chloride ligands of the anion and S atoms of NCS− ligands as acceptors.
    Keywords: Crystal structureethane-1,2-diaminethiocyanatetrans isomerchromium(III) complexsynchrotron datahydrogen bonds
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
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