The Crystal Structure of the Calcium and Strontium Salts of Arabonic Acid.

Furberg, Sven; Helland, Sten; Lukkari, Sakari; Block-Bolten, A.; Toguri, J. M.; Flood, H.

doi:10.3891/acta.chem.scand.16-2373

Cited by 26 publications

(6 citation statements)

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“…Within the calcium shell there are several short oxygen-oxygen contacts, however, no hydrogen bonds exist between the oxygen atoms of the shell. The calcium-oxygen distances and the geometry of the coordination shell are in agreement with those found for other sugar-calcium halide complexes (Bugg & Cook, 1972;Bugg, 1973;Cook & Bugg, 1973b) and for several calcium salts of sugar acids (Cook & Bugg, 1973a;Norrestam, Werner & yon Glehn, 1968;Furberg & Hellend, 1962;Balchin & Carlisle, 1965). Calcium interactions with various epimers of inositol in aqueous solution have been studied by Angyal & Davies (1971), who found that myo-inositol binds calcium only weakly, whereas several other epimers of inositol interact strongly with calcium.…”

Section: Crystal Packing and Calcium Coordinationsupporting

confidence: 84%

Effects of calcium interactions on the conformation of sugars: crystal structure of myo-inositol–calcium bromide pentahydrate

Cook¹,

Bugg²

1973

Acta Crystallogr Sect B

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X-ray diffraction data were used to determine the crystal structure of a hydrated calcium bromide complex of myo-inositol. Crystals of C6H1,_O6. CaBr2.5H20 are triclinic, space group PT, with a= 7.513 (3), b = 8"280 (3), c = 15.035 (3) A,, e = 70.43 (3), fl = 82"06 (3), 7 = 68"08 (4) °, Z = 2, 0(obs) = 1-90 and 0(calc) = 1-910 g cm -3. Intensity data for 2724 independent reflections were collected with an automated diffractometer by use of nickel-filtered copper radiation. A trial structure, obtained by direct and Fourier methods, was refined by least-squares to R = 0.039. The calcium ion binds four water molecules and two symmetry-related myo-inositol molecules. One myo-inositol molecule is coordinated to the calcium ion through its 0(2) and 0(3) hydroxyl groups, and the second is coordinated through its 0(5) and 0(6) hydroxyl groups. The four hydroxyl groups and four water molecules that interact with the calcium ion form a distorted square-antiprism coordination polyhedron. A comparison of this and other crystal structures of myo-inositol indicates that the calcium interactions produce small distortions in the conformation of the sugar. At both chelation sites, there are changes ranging up to 15 ~ in torsion angles and up to 5 ° in bond angles, with resultant decreases of about 0.2 A in the intramolecular spacing between the hydroxyl groups that are chelated to calcium. These conformational changes are consistent with those observed in other crystal structures of calcium-sugar complexes.

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Section: Crystal Packing and Calcium Coordinationsupporting

confidence: 84%

Effects of calcium interactions on the conformation of sugars: crystal structure of myo-inositol–calcium bromide pentahydrate

Cook¹,

Bugg²

1973

Acta Crystallogr Sect B

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“…A number of examples of such interactions, falling into two main categories, have been observed in crystal structures. The fl-OH can join with the ~chelation pattern to form a tridentate site (Furberg & Helland, 1962;Cook & Bugg, 1973;Sicignano, Ghandi & Eriks, 1974;Mazid, Palmer & Balchin, 1976). Alternatively, the fl-OH may join with the carboxyl O atom not involved in the tt chelation to form a second chelation site (DeLucas, Bugg, Terzis & Rivest, 1975;Taga & Osaki, 1976).…”

Section: Discussionmentioning

confidence: 99%

Calcium binding to hydroxycarboxylic acids: crystal structure of calcium di-DL-glycerate dihydrate

Meehan¹,

Einspahr²,

Bugg³

1979

Acta Crystallogr Sect B

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“…In crystalline structures of calcium compounds, especially when hydrated, the calcium ion is generally surrounded by eight oxygen atoms (Furberg & Helland, 1962;Bugg & Cook, 1972;Cook & Bugg, 1973;Bugg, 1973;Einspahr & Bugg, 1974). Sometimes, the environment i s of seven oxygen atom s (Dickens, Brown, Kruger & Stewart, 1973) as in this study.…”

Section: Hmt Moleculementioning

confidence: 99%

The crystal structure of calcium dichromate bis(hexamethylenetetramine) heptahydrate

Dahan¹

1975

Acta Crystallogr Sect B

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The structure of Cr2OvCa. 2[(CH2)6N4]. 7H20 has been determined by Patterson and Fourier methods and refined by full-matrix least-squares computations to a final R of 0.036 for 2961 independent nonzero reflexions. The crystals are monoclinic, space group C2/c, with a= 14"013 (6), b= 14"384 (6), c= 13"362 (6) .~, /~= 103-03 (7) °, Z=4. The structure is characterized by hydrogen bonds between the heptahydrate polyhedron around the calcium atom and the dichromate ion as well as the hexamethylenetetramine molecules.

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The Crystal Structure of the Calcium and Strontium Salts of Arabonic Acid.

Cited by 26 publications

References 0 publications

Effects of calcium interactions on the conformation of sugars: crystal structure of myo-inositol–calcium bromide pentahydrate

Effects of calcium interactions on the conformation of sugars: crystal structure of myo-inositol–calcium bromide pentahydrate

Calcium binding to hydroxycarboxylic acids: crystal structure of calcium di-DL-glycerate dihydrate

The crystal structure of calcium dichromate bis(hexamethylenetetramine) heptahydrate

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