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2,5-Dichloro-3,6-diisopropyl-cyclo-hexa-2,5-diene-1,4-dione.

ABSTRACT: The mol-ecule of the title compound, C(12)H(14)Cl(2)O(2), lies about an inversion center. The six-membered ring is almost planar, with the largest deviation from the least-squares plane being 0.014?(4)?Å. The mol-ecular conformation is stabilized by a weak intra-molecular C-H?O hydrogen bond. In the crystal, mol-ecules are packed into stacks along the c-axis direction, with an inter-centroid separation of 4.811?(2)?Å. Neighboring mol-ecules within the stack are related by the c-glide plane.

SUBMITTER: Li P

PROVIDER: S-EPMC3435695 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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2,5-Dichloro-3,6-diisopropyl-cyclo-hexa-2,5-diene-1,4-dione.

Li Ping P Wang Hai H Dong Jian J Chen Hong-Yu HY

Acta crystallographica. Section E, Structure reports online 20120811 Pt 9

The mol-ecule of the title compound, C(12)H(14)Cl(2)O(2), lies about an inversion center. The six-membered ring is almost planar, with the largest deviation from the least-squares plane being 0.014 (4) Å. The mol-ecular conformation is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, mol-ecules are packed into stacks along the c-axis direction, with an inter-centroid separation of 4.811 (2) Å. Neighboring mol-ecules within the stack are related by the c-glide plane. ...[more]

PMID: 22969566

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Crystal structure of poly[[hexa-aqua-tris-(?-3,6-di-oxo-cyclo-hexa-1,4-diene-1,4-diolato)dierbium(III)] octa-deca-hydrate].

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