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Trans-Cyclo-hex-2-ene-1,4-diyl bis-(4-nitro-phen-yl) dicarbonate.

ABSTRACT: Although the title mol-ecule, C(20)H(16)N(2)O(10), does not possess mol-ecular inversion symmetry, it lies on a crystallographic inversion centre which imposes disorder on the central cyclo-hexene ring. In addition, the cyclo-hexene ring has non-symmetry-related disorder over two sites, with the ratio of the major and minor components being 0.54:0.46. The overall effect is to produce four disorder components for the atoms of the cyclo-hexene ring. The side chain is perfectly ordered and the dihedral angle between the atoms of the carbonate group (O=CO(2)-) and the benzene ring is 72.99?(6)°.

SUBMITTER: Nawazish Ali S

PROVIDER: S-EPMC2915334 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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trans-Cyclo-hex-2-ene-1,4-diyl bis-(4-nitro-phen-yl) dicarbonate.

Nawazish Ali Syed S Begum Sabira S Winnik Mitchell A MA Lough Alan J AJ

Acta crystallographica. Section E, Structure reports online 20071218 Pt 1

Although the title mol-ecule, C(20)H(16)N(2)O(10), does not possess mol-ecular inversion symmetry, it lies on a crystallographic inversion centre which imposes disorder on the central cyclo-hexene ring. In addition, the cyclo-hexene ring has non-symmetry-related disorder over two sites, with the ratio of the major and minor components being 0.54:0.46. The overall effect is to produce four disorder components for the atoms of the cyclo-hexene ring. The side chain is perfectly ordered and the dihe ...[more]

PMID: 21200847

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