Structural and conformational studies of 1,4-bis(phenacyloxy)benzene

The title compound crystallizes with the orthorhombic space group Pbca. The dihedral angle between the central benzene and the phenyl ring is 77.74(2)°. The atom O2 is deviated by 0.037(2)° from the remaining of the atoms in the central benzene ring. The dihedral angle between the benzene ring and the phenacyloxy ring is 77.59(1)o. The atom O1 is deviated by 0.032(1)° from the remaining of the atoms in the group C1-C8. The C7-O1 to the phenacyl system assumes a synperiplanar conformation with respect to the O2-C8 bond [O2-C8-C7-O1 of -6.4(4)o]. The C8- C7-O1-C1 fragment of phenacyl substituent is flat and approximately perpendicular to the central benzene. The phenyl ring is twisted by 6.61(1)o from C8-C7-O1-C1 plane.

Author(s): P. Sakthivela and A. Pasupathyb

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