Structure of sodium hydrogen (+)-tartrate monohydrate

Bott, Raymond C.; Sagatys, DS; Lynch, Daniel Ε.; Smith, G.S.; Kennard, C. H. L.

doi:10.1107/s0108270192012605

Cited by 8 publications

(5 citation statements)

References 11 publications

(11 reference statements)

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“…The accepted (2R,3R) absolute configuration for the L-tartrate residues in (I) (Bijvoet et al, 1951) 2.936 (7) Å]. However, there are no significant conformational differences in the two anions, the O21-C2-C3-O31 torsion angles being -61.7 (7) ° (C) and -69.5 (6) ° (D), comparing with -66.8 (2) ° in sodium hydrogen L-tartrate monohydrate (Bott et al, 1993).…”

Section: S1 Commentmentioning

confidence: 95%

4-Chloroanilinium hydrogen (2R,3R)-tartrate monohydrate

2007

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Key indicators: single-crystal X-ray study; T = 130 K; mean (C-C) = 0.010 Å; R factor = 0.076; wR factor = 0.197; data-to-parameter ratio = 12.3.In the structure of the hydrated 1:1 compound of 4-chloroaniline with l-tartaric acid, C 6 H 7 ClN + ÁC 4 H 5 O 6 À ÁH 2 O, determined at 130 K, the asymmetric unit comprises two 4-chloroanilinium cations, two hydrogen tartrate anions and two water molecules of solvation, and forms a two-dimensional duplex substructure comprising head-to-tail C 1 1 (7) hydrogen-bonded hydrogen tartrate anions and water molecules. The -associated 4-chloroanilinium cation pairs [ring centroid separation = 3.576 (4) Å ; inter-ring dihedral angle = 0.5 (1) ] are accommodated within the channels of the substructure and are hydrogen-bonded to it peripherally. Related literatureThe structure of the title compound is different from those of the l-tartrates of the parent aniline (Chen et al., 2005), ptoluidine and m-anisidine (Renuka et al., 1995). For related literature, see: Aakerö y et al. Experimental Crystal data C 6 H 7 ClN + ÁC 4 H 5 O 6 À ÁH 2 O M r = 295.67 Monoclinic, P2 1 a = 7.3437 (15) Å b = 10.850 (2) Å c = 15.971 (3) Å = 97.880 (4) V = 1260.5 (4) Å 3 Z = 4 Mo K radiation = 0.33 mm À1 T = 130 (2) K 0.45 Â 0.15 Â 0.05 mm Data collection Bruker SMART CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 1999) T min = 0.93, T max = 0.98 6196 measured reflections 4197 independent reflections 3319 reflections with I > 2(I) R int = 0.087

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Section: S1 Commentmentioning

confidence: 95%

4-Chloroanilinium hydrogen (2R,3R)-tartrate monohydrate

2007

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“…As with the transition metal complexes, the metal stereochemistry is often forced by the constraints of the ligand, e.g. in sodium hydrogen (o-phenylenedioxy)diacetate (Bott et al, 1992) it is pentagonal pyramidal, while in hydrated compounds the presence of bonded water usually results in expansion of the coordination polyhedron; the hydrates sodium hydrogen (+)-tartrate monohydrate (Bott et al, 1993) and hydrated sodium o-phenylenedioxydiacetate (Kennard et al, 1988) both have a coordination number (C.N.) of 8, while the C.N.…”

Section: Commentmentioning

confidence: 99%

Polymeric anhydrous sodium 2-aminobenzensulfonate

Smith¹,

Wermuth²,

Young³

et al. 2004

Acta Cryst E

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“…The corresponding sodium salt crystallizes as a monohydrate from an aqueous solution at room temperature (Bott, Sagatys, Lynch, Smith & Kennard, 1993;Kubozono, Hirano, Nagasawa, Maeda & Kashino, 1993). Packing considerations showed that sodium hydrogen L-tartrate, (I), may not crystallize as an anhydrate which is isostructural with the other alkali metal salts under ambient conditions (Kubozono et al, 1993).…”

Section: Commentmentioning

confidence: 99%