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7,14-Bis(4-bromo-phen-yl)-2,11,11-trimethyl-1,4,10,12-tetra-oxa-dispiro-[4.2.5.2]penta-decane-9,13-dione.

ABSTRACT: In the mol-ecule of the title compound, C(26)H(26)Br(2)O(6), the cyclo-hexane ring is in a chair conformation, while the five-membered and 1,3-dioxane rings both adopt envelope conformations. The dihedral angle between the benzene rings is 77.21?(3)°. In the crystal structure, weak inter-molecular C-H?O inter-actions link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(14) ring motifs. One of the Br atoms, the methyl C and H atoms, and the C atom bonded to the methyl group of the five-membered ring are disordered over two positions. The Br atoms were refined with occupancies of 0.51?(4) and 0.49?(4), while the C and H atoms were refined with occupancies of 0.320?(18) and 0.680?(18).

SUBMITTER: Peng JH

PROVIDER: S-EPMC2977817 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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7,14-Bis(4-bromo-phen-yl)-2,11,11-trimethyl-1,4,10,12-tetra-oxa-dispiro-[4.2.5.2]penta-decane-9,13-dione.

Peng Ju-Hua JH Ma Ning N Zhang Ge G

Acta crystallographica. Section E, Structure reports online 20090430 Pt 5

In the mol-ecule of the title compound, C(26)H(26)Br(2)O(6), the cyclo-hexane ring is in a chair conformation, while the five-membered and 1,3-dioxane rings both adopt envelope conformations. The dihedral angle between the benzene rings is 77.21 (3)°. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(14) ring motifs. One of the Br atoms, the methyl C and H atoms, and the C atom bonded to the methyl group of the fi ...[more]

PMID: 21583954

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