Abstract
A 1∶1 crystalline adduct of hexamethylenetetramine with phenylacetic acid, (CH2)6N4·C6H5CH2COOH, has been isolated and characterized by X-ray analysis. The compound crystallizes in space groupI¯4 (No. 82), witha=20.576(3),c=6.907(1) Å, andZ=8. The crystal structure is composed of a packing of discrete molecular aggregates corresponding to the stoichiometric formula, each being consolidated by a N⋯H-O hydrogen bond of length 2.643(8) Å, which has no significant effect on the regular geometry of the (CH2)6N4 cage system. The C-CO2 and phenyl groups in the C6H5CH2COOH moiety make a dihedral angle of 74(1)°. The structure has been refined toR=0.071 for 1350 observed (∥F o ∥>2σ∥F o ∥) MoKα data.
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Mak, T.C.W., Xiaoming, C., Kailiang, S. et al. Crystal structure of a 1:1 molecular adduct of hexamethylenetetramine with phenylacetic acid. Journal of Crystallographic and Spectroscopic Research 16, 639–646 (1986). https://doi.org/10.1007/BF01181246
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DOI: https://doi.org/10.1007/BF01181246