ISSN:
1600-5759
Quelle:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Thema:
Chemie und Pharmazie
,
Geologie und Paläontologie
,
Physik
Notizen:
The title compound, C7H8FO6PS·H2O, contains both phosphonic and sulfonic acid functionalities. An extensive network of O—H...O hydrogen bonds is present in the crystal structure. The three acidic protons are associated with the phosphonate group. Two protons experience typical hydrogen-bond contacts with the sulfonate-O atoms, while the third has a longer covalent bond of 1.05 (3) Å to the phosphonate-O atom and a short hydrogen-bond contact of 1.38 (3) Å to the water O atom (all O—H...O angles are in the range 162–175°). The sulfonate group is positioned so that one S—O bond is nearly coplanar with the phenyl ring [torsion angle O—S—C—C −8.6 (2)°]. The phosphonate group is oriented approximately perpendicular to the ring [torsion angle P—C—C—C 99.2 (2)°] with one P—O bond anti to the benzyl C—C bond. The molecules pack in layers in the b–c plane with the water molecules in between adjacent pairs of inverted layers.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1107/S0108270100000184
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