Benzene-1,3-diol-1,4-diaza-bicyclo-[2.2.2]octane (1/1)

Abstract

There are two independent but virtually identical mol-ecules of each component in the asymmetric unit of the title 1:1 adduct, C(6)H(12)N(2)·C(6)H(6)O(2). In the crystal, the constituents are connected into a supra-molecular chain along the b axis by O-H⋯N hydrogen bonds. Weak C-H⋯O bonds cross-link the chains.

Fig. 1.

Molecular structure of the first independent benzene-1,3-diol molecule in (I) showing displacement ellipsoids at the 50% probability level.

Fig. 2.

Molecular structure of the second independent benzene-1,3-diol molecule in (I) showing displacement ellipsoids at the 50% probability level.

Fig. 3.

Molecular structure of the first independent 1,4-diazabicyclo[2.2.2]octane molecule in (I) showing displacement ellipsoids at the 50% probability level.

Fig. 4.

Molecular structure of the second independent 1,4-diazabicyclo[2.2.2]octane molecule in (I) showing displacement ellipsoids at the 50% probability level.

Fig. 5.

Supramolecular chain along the b axis in (I) mediated by O–H···N hydrogen bonding (orange dashed lines).

Fig. 6.

View in projection down the a axis of the unit-cell contents of (I). The O–H···N hydrogen bonding and C–H···O contacts are shown as orange and blue dashed lines, respectively.