Crystal Structure of Tetrakis (phenacetin) Dihydrogentetraiodide Dihydrate {[H5C2OC6H4N (H)C(CH3)O]4·H2I4·2H2O}

✍ Scribed by Frank H. Herbstein; Moshe Kapon; Willi Schwotzer

• Publisher: John Wiley and Sons
• Year: 1983
• Tongue: German
• Weight: 431 KB
• Volume: 66
• Category: Article
• ISSN: 0018-019X
• DOI: 10.1002/hlca.19830660104

✦ Synopsis

Dedicated to Prof. Jack D. Dunitz on the occasion of his 60th birthday (7.VIII.80) Summary (Phenacetin)4. H214. 2 H20istriclinic,a= 13.641 (7),b= 12.807(6),~=7.201(3)A, u = 99.8 (4), a= 86.5 (4), y = 104.0 (5)", Pi, Z = 1. The ordered crystal structure has been refined to RF=0.050, using 4173 independent reflections measured on a fourcircle diffractometer with MoKu (graphite monochromator) radiation. The crystals are composed of alternating positively and negatively charged slices; each positive slice contains a double layer of stacks of hemi-protonated phenacetin molecules which are H-bonded through their carbonyl groups (d (0 ---0) = 2.432 (4) A)

while each negative slice contains a single layer of @-ions linked in chains along [loo] through H-bonds to pairs of water molecules. The axes of the phenacetin stacks are parallel to the planes of the (1;-. 2 H20)-layers. The @-ion is centrosymmetric and can be approximately represented as I----1-1 ---I-(d (I----I) = 3.404 (1) A; d (1-1) = 2.774 (1) A). The compound is a pseudo-type A basic salt.