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4,4-Dichloro-tricyclo-[5.4.0.0]undeca-7,9,11-triene.

ABSTRACT: The title compound, C(11)H(10)Cl(2), is a useful inter-mediate for the synthesis of 1H-cyclo-propa[b]naphthalene. Strain in the mol-ecule is evidenced by the fact that the cyclo-hexane ring is essentially planar and nearly coplanar with the benzene ring [dihedral angle 1.87?(18)°], and the cyclo-propyl ring is almost perpendicular to the cyclo-hexane ring [dihedral angle 70.99?(12)°]. The mol-ecules are loosely connected into one-dimensional chains by inter-molecular Cl?Cl inter-actions with a distance of 3.571?(1)?Å. The centroid-to-centroid distance between stacked benzene rings is ca 5.89?Å, indicating that no ?-? stacking exists in the crystal structure.

SUBMITTER: Chen WL

PROVIDER: S-EPMC2961701 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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4,4-Dichloro-tricyclo-[5.4.0.0]undeca-7,9,11-triene.

Chen Wan-Li WL Chen Guo-Sheng GS Zhu Ying-Hong YH Mo Wei-Min WM

Acta crystallographica. Section E, Structure reports online 20080621 Pt 7

The title compound, C(11)H(10)Cl(2), is a useful inter-mediate for the synthesis of 1H-cyclo-propa[b]naphthalene. Strain in the mol-ecule is evidenced by the fact that the cyclo-hexane ring is essentially planar and nearly coplanar with the benzene ring [dihedral angle 1.87 (18)°], and the cyclo-propyl ring is almost perpendicular to the cyclo-hexane ring [dihedral angle 70.99 (12)°]. The mol-ecules are loosely connected into one-dimensional chains by inter-molecular Cl⋯Cl inter-actions with a d ...[more]

PMID: 21202938

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