Ferguson, George and Gallagher, John F. and Vogt, Walter and Phillips, James and Williams, Graheme J.B. (1993) 4-Methyl-2,6-bis(phosphonomethyl)phenol dihydrate. Acta Crystallographica Section C, 49 (5). pp. 1024-1026. ISSN 0108-2701
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The 4-methyl-2,6-bis(phosphomethyl)phenol molecule,
which crystallizes with two water molecules per asymmetric
unit, has approximate twofold symmetry and is
involved in extensive three-dimensional hydrogen bonding
in which every available OH group participates.
The principal dimensions include P--O 1.4981 (13)
and 1.5015 (14) ,~, four P--OH distances in the range
1.5395(14) to 1.5688(13) A, P--C 1.7857(17) and
1.7893 (17) ~k, and O...O intramolecular and intermolecular
hydro.gen-bond distances in the range 2.458 (2) to
2.866 (2) A.
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