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Crystal structure of 6,6,12,12-tetra-chloro-tri-cyclo-[8.2.0.0(4,7)]dodecane-5,11-dione.

ABSTRACT: The asymmetric unit of the title compound, C12H12Cl4O2, contains two crystallographically independent mol-ecules with almost identical conformations (r.m.s. overlay fit for the non-hydrogen atoms = 0.059?Å). In each mol-ecule, the central eight-membered ring has a distorted boat configuration, and two non-planar four-membered rings are fused on either side of the eight-membered ring. A weak C-H?O hydrogen bond links the two independent mol-ecules. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (001).

SUBMITTER: Turan Ak?n E

PROVIDER: S-EPMC4555426 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 6,6,12,12-tetra-chloro-tri-cyclo-[8.2.0.0(4,7)]dodecane-5,11-dione.

Turan Akın Esra E Hökelek Tuncer T

Acta crystallographica. Section E, Crystallographic communications 20150806 Pt 9

The asymmetric unit of the title compound, C12H12Cl4O2, contains two crystallographically independent mol-ecules with almost identical conformations (r.m.s. overlay fit for the non-hydrogen atoms = 0.059 Å). In each mol-ecule, the central eight-membered ring has a distorted boat configuration, and two non-planar four-membered rings are fused on either side of the eight-membered ring. A weak C-H⋯O hydrogen bond links the two independent mol-ecules. In the crystal, weak C-H⋯O hydrogen bonds link t ...[more]

PMID: 26396834

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Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1(3,8)]dodecane (TATD)-4-chloro-3,5-di-methyl-phenol (1/1).

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Crystal structure of 1,7,8,9-tetra-chloro-4-(2-fluoro-benz-yl)-10,10-dimeth-oxy-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-ene-3,5-dione.

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| S-EPMC3470332 | biostudies-literature

Crystal structure of (1S,3R,8R,9R,10S)-2,4,6-tris-(2,2-di-chloro-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodec-9-yl)cyclo-triboroxane.

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| S-EPMC4571362 | biostudies-literature

Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1(3,8)]dodecane (TATD)-4-bromo-phenol (1/2).

Project description:The structure of the 1:2 co-crystalline adduct C8H16N4·2C6H5BrO, (I), from the solid-state reaction of 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1(3,8)]dodecane (TATD) and 4-bromo-phenol, has been determined. The asymmetric unit of the title co-crystalline adduct comprises a half mol-ecule of aminal cage polyamine plus a 4-bromo-phenol mol-ecule. A twofold rotation axis generates the other half of the adduct. The primary inter-species association in the title compound is through two inter-molecular O-H?N hydrogen bonds. In the crystal, the adducts are linked by weak non-conventional C-H?O and C-H?Br hydrogen bonds, giving a two-dimensional supra-molecular structure parallel to the bc plane.

| S-EPMC4420134 | biostudies-other

Synthesis and crystal structure of (1,4,7,10-tetra-aza-cyclo-dodecane-κ4 N)(tetra-sulfido-κ2 S 1,S 4)manganese(II).

Project description:The title compound, [Mn(S4)(C8H20N4)], was accidentally obtained by the hydro-thermal reaction of Mn(ClO4)2·6H2O, cyclen (cyclen = 1,4,7,10-tetra-aza-cyclo-dodeca-ne) and Na3SbS4·9H2O in water at 413 K, indicating that polysulfide anions might represent inter-mediates in the synthesis of thio-metallate compounds using Na3SbS4·9H2O as a reactant. X-ray powder diffraction proves that the sample is slightly contaminated with NaSb(OH)6 and an unknown crystalline phase. The crystal investigated was twinned with a twofold rotation axis as the twin element, and therefore a twin refinement using data in HKLF-5 format was performed. The asymmetric unit of the title compound consists of one MnII cation, one [S4]2- anion and one cyclen ligand in general positions. The MnII cation is sixfold coordinated by two cis-S atoms of the [S4]2- anions, as well as four N atoms of the cyclen ligand within an irregular coordination. The complexes are linked via pairs of N-H⋯S hydrogen bonds into chains, which are further linked into layers by additional N-H⋯S hydrogen bonding. These layers are connected into a three-dimensional network by inter-molecular N-H⋯S and C-H⋯S hydrogen bonding. It is noted that only one similar complex with MnII is reported in the literature.

| S-EPMC7057377 | biostudies-literature

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