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Trans-Cyclo-hexane-1,4-diyl bis-(4-nitro-phen-yl) dicarbonate.

ABSTRACT: In the title crystal structure, C(20)H(18)N(2)O(10), there are two independent mol-ecules, both of which lie on crystallographic inversion centres. In one mol-ecule the 4-nitro-phenyl dicarbonate groups are substituted in equatorial (A(eq)) positions of the chair-form cyclo-hexane ring while in the other mol-ecule the substitution is axial (B(ax)). The dihedral angles between the atoms of the symmetry-unique carbonate group (O=CO(2)-) and benzene ring for each mol-ecule are 47.3?(1)° for A(eq) and 11.7?(2)° for B(ax). In B(ax), this facilitates the formation of a weak intra-molecular C-H?O hydrogen bond, while the packing is stabilized by weak inter-molecular C-H?O inter-actions.

SUBMITTER: Nawazish Ali S

PROVIDER: S-EPMC2915335 | biostudies-other | 2007

REPOSITORIES: biostudies-other

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trans-Cyclo-hexane-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

In the title crystal structure, C(20)H(18)N(2)O(10), there are two independent mol-ecules, both of which lie on crystallographic inversion centres. In one mol-ecule the 4-nitro-phenyl dicarbonate groups are substituted in equatorial (A(eq)) positions of the chair-form cyclo-hexane ring while in the other mol-ecule the substitution is axial (B(ax)). The dihedral angles between the atoms of the symmetry-unique carbonate group (O=CO(2)-) and benzene ring for each mol-ecule are 47.3 (1)° for A(eq) a ...[more]

PMID: 21200848

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