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

Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 18;64(Pt 1):o282. doi: 10.1107/S1600536807066007.

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.