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(±)-Cyclo-hexane-1,2-diyl bis-(4-nitro-benzoate).

ABSTRACT: The crystal structure of the title compound, C(20)H(18)N(2)O(8), has been investigated to establish the relative stereochemistry between the ester groups. The cyclo-hexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship with each other. The mol-ecules assemble in the crystal as chains along the c axis via C-H?? inter-actions between the cyclo-hexane ring and a pair of nitro-phenyl rings of the neighbouring mol-ecule. Also observed are ?-? stacking inter-actions between the nitro-phenyl rings of neighbouring chains, with a perpendicular distance between these rings of 3.409?Å and a slippage of 0.969?Å.

SUBMITTER: Tong ST

PROVIDER: S-EPMC2959677 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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(±)-Cyclo-hexane-1,2-diyl bis-(4-nitro-benzoate).

Tong Sok Teng ST Barker David D Choi Ka Wai KW Boyd Peter D W PD Brimble Margaret A MA

Acta crystallographica. Section E, Structure reports online 20081022 Pt 11

The crystal structure of the title compound, C(20)H(18)N(2)O(8), has been investigated to establish the relative stereochemistry between the ester groups. The cyclo-hexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship with each other. The mol-ecules assemble in the crystal as chains along the c axis via C-H⋯π inter-actions between the cyclo-hexane ring and a pair of nitro-phenyl rings of the neighbouring mol-ecule ...[more]

PMID: 21581034

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