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Cs[Tf2N]: a second polymorph with a layered structure.

ABSTRACT: The structural determination of the ionic liquid, caesium bis-[(tri-fluoro-meth-yl)sulfon-yl]imide or poly[[μ4-bis-[(tri-fluoro-meth-yl)sulfon-yl]imido]caesium(I)], Cs[N(SO2CF3)2] or Cs[Tf2N], reveals a second polymorph that also crystallizes in a layer structure possessing monoclinic P21/c symmetry at 120 K instead of C2/c for the known polymorph [Xue et al. (2002 ▸). Solid State Sci.4, 1535-1545]. The caesium ions in the cationic layers are coordinated by the sulfonyl groups of the bis-triflimide mol-ecules from anion layers while the tri-fluoro-methyl groups are oriented in the opposite direction, forming a non-polar surface separating the layers. The layer direction is (100).

SUBMITTER: Stritzinger JT

PROVIDER: S-EPMC5946987 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3).

Project description:The asymmetric unit of the first title compound iodido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4 N 1,N 4,N 8,N 11)zinc(II) iodide, [ZnI(C10H24N4)]I, I, consists of the zinc-cyclam macrocyclic cation with one iodide anion coordinated to the metal ion [Zn-I = 2.6619 (5) Å] and the second present as a counter-ion. The asymmetric unit of the second title compound iodido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4 N 1,N 4,N 8,N 11)zinc(II) triiodide, [ZnI(C10H24N4)]I3, II, consists of half of the centrosymmetric macrocyclic cation, in which the ZnII ion coordinated to an iodide anion [Zn-I = 2.766 (2) Å] is disordered over two positions [Zn⋯Zn = 0.810 (3) Å], and of the two halves of the crystallographically non-equivalent, non-coordinated, centrosymmetric triiodide anions. In both compounds, the N,N,N,N-tetra-dentate macrocyclic ligand is present in the most energetically favored trans-III conformation. In the crystals of I, the [Zn(C10H24N4)I]+ cations and the non-coordinated iodide anions are linked by N-H⋯I and bifurcated N-H⋯(I,I) hydrogen bonds, resulting in the formation of two-dimensional networks lying parallel to the (001) and (101) planes. In contrast, the crystals of II are built up from infinite chains of the five-coordinate macrocyclic units arranged along the b-axis direction and perpendicular sheets formed of the triiodide counter-ions without significant hydrogen bonding between them.

| S-EPMC8587993 | biostudies-literature

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| S-EPMC8597838 | biostudies-literature

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Project description:Stacked atomically thin transition metal dichalcogenides (TMDs) exhibit fundamentally new physical properties compared to those of the individual layers. The twist angle between the layers plays a crucial role in tuning these properties. Having a tool that provides high-resolution, large area mapping of the twist angle, would be of great importance in the characterization of such 2D structures. Here we use polarization-resolved second harmonic generation (P-SHG) imaging microscopy to rapidly map the twist angle in large areas of overlapping WS2 stacked layers. The robustness of our methodology lies in the combination of both intensity and polarization measurements of SHG in the overlapping region. This allows the accurate measurement and consequent pixel-by-pixel mapping of the twist angle in this area. For the specific case of 30° twist angle, P-SHG enables imaging of individual layers.

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Project description:Diosgenone [(20S,22R,25R)-spirost-4-en-3-one, C(27)H(40)O(3)] has been proposed as a new therapeutic alternative for the treatment of malaria. The first X-ray structure report for diosgenone was by Piro et al. [(2002). Z. Naturforsch. Teil C, 57, 947-950] in the space group P2(1) (Z' = 2). We now report a new polymorph in the same space group, with two mol-ecules in the asymmetric unit. Both mol-ecules have similar conformations, characterized by a skewed envelope A ring, which contains the C=C bond conjugated with the ketone functionality at C3. The dimorphism results from a modification of the relative orientation of the mol-ecules in the asymmetric unit: two independent mol-ecules were arranged anti-parallel in the Piro report, while they are parallel in the present determination.

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| S-EPMC5050778 | biostudies-literature

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| S-EPMC6301201 | biostudies-literature

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