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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 E, Hökelek T - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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.In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (001).

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Atatürk University, 25240, Erzurum, Turkey.

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).

No MeSH data available.


Related in: MedlinePlus

The mol­ecular structure of the title compound with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. The inter­molecular C—H ⋯ O hydrogen bond is shown as dashed line. H atoms not involved in hydrogen bonds have been omitted for clarity.
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fig1: The mol­ecular structure of the title compound with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. The inter­molecular C—H ⋯ O hydrogen bond is shown as dashed line. H atoms not involved in hydrogen bonds have been omitted for clarity.

Mentions: The asymmetric unit of the title compound contains two crystallographically independent mol­ecules (Fig. 1 ▸). Each mol­ecule consists of a central non-planar eight-membered cyclo­octa­diene [B (C2–C5/C8–C11) and E (C14–C17/C20–C23)] ring system having two non-planar four-membered [A (C1/C2/C11/C12), C (C5–C8) and D (C13/C14/C23/C24), F (C17–C20)] rings fused on both sides. A weak C—H⋯O hydrogen bond (Table 1 ▸) links the two independent mol­ecules.


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

Turan Akın E, Hökelek T - Acta Crystallogr E Crystallogr Commun (2015)

The mol­ecular structure of the title compound with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. The inter­molecular C—H ⋯ O hydrogen bond is shown as dashed line. H atoms not involved in hydrogen bonds have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4555426&req=5

fig1: The mol­ecular structure of the title compound with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. The inter­molecular C—H ⋯ O hydrogen bond is shown as dashed line. H atoms not involved in hydrogen bonds have been omitted for clarity.
Mentions: The asymmetric unit of the title compound contains two crystallographically independent mol­ecules (Fig. 1 ▸). Each mol­ecule consists of a central non-planar eight-membered cyclo­octa­diene [B (C2–C5/C8–C11) and E (C14–C17/C20–C23)] ring system having two non-planar four-membered [A (C1/C2/C11/C12), C (C5–C8) and D (C13/C14/C23/C24), F (C17–C20)] rings fused on both sides. A weak C—H⋯O hydrogen bond (Table 1 ▸) links the two independent mol­ecules.

Bottom Line: 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.In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (001).

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Atatürk University, 25240, Erzurum, Turkey.

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).

No MeSH data available.


Related in: MedlinePlus