The crystal structure of the hexasodium salt of benzenehexasulphonic acid octahydrate

Abstract

The hexasodium salt of benzenehexasulphonic acid, C~,(SO,Na) 6, forms an octahydrate which is stable in air. The compound is monoclinic with a = 8.360 (1), b = 13.981 (l),e = 12.692 (1) A, y = 118 ° 36 (I)', Z = 2, space group P2./b. The intensities were measured on an automatic Syntex P1 diffractometer. The structure was solved by direct methods and refined by the least-squares technique to a final R of 0.053. The configuration of the anion is determined by steric forces between the large SO 3 groups. The observed average values ofthe bond lengths and angles are C

Sulfoconjugation of dopamine. The structures of dopamine-O-sulfates, C8H11NO5S

“…The equivalent length of bonds S-O(2)[ 1.438 (2) A], S-O(3)[ 1.440 (2) A] and S-O(4)[ 1.442 (2) A] and their primed analogues establishes the ionic nature of this sulfate group. These bond lengths, though longer than would be expected for an S-O double bond and shorter than expected for a single bond, are quite similar to values reported for hexasodium benzenehexasulfonate (Chetkina & Sobolev, 1977). The S-O(1) and S-O(I') single bonds, by comparison, are considerably longer at 1.623 (2) and 1.622 (2) A, respectively.…”

Wechselwirkungen in Molekülkristallen, 144. ortho-Benzol-Derivate mit ineinander verzahnten Trimethylsilyl- Substituenten: Strukturvergleich mit Benzol-1,2-disulfonat-Salzen und Rotationsenthalpie-Hyperflächen/ Interactions in Molecular Crystals, 144, ortho-Benzene Derivatives with Meshed Cogwheel Trimethylsilyl Substituents: Structural Comparison with Benzene-1,2-disulfonate Salts and Rotation Enthalpy Hypersurfaces

“…Verbindungen mit vicinalen Sulfonat-Gruppen in synperiplanarer Anordnung fanden sich in der Cambridge Structural Database (Version 5.10) nicht registriert: Die Kristallstrukturen der Benzol-1,2disulfonat-Salze wurden erst kürzlich veröffent licht [4] und in denen des Benzolhexasulfonat-Hexaanions [5], sowie des 3,4,5,6-Tetramethyl-l,2disulfonat-Dianions [6] (Gl. (2)) sind die Sulfonat-Gruppen wegen räumlicher Überfüllung aus einer synperiplanaren Anordnung mit u;(S-C-C-S) « 0° ausgelenkt.…”

Stability and Ring-Shift Tautomerization of Cyclic Anhydrides of Benzenehexasulfonic Acid

“…Benzenehexasulfonic acid (BHSA) was synthesized for the first time in the 1970s by Dokunikhin et al via treatment of 1,4-dinitrotetrachlorobenzene with sulfite in the presence of Cu 2+ . , X-ray crystallographic structures have been determined for Na 6 BHSA·8H 2 O , as well as for BHSA·12H 2 O and BHSA·14H 2 O . In all cases, the steric repulsions between sulfonates on the same phenyl ring are so significant that they distort the aromatic ring into a chair conformation.…”